1.0 2016-09-30 23:06:37 UTC 2020-04-22 15:12:55 UTC BMDB0003929 BMDB03929 5-Aminoimidazole Aminoimidazole 4-Aminoimidazole 5-Aminoimidazole C3H5N3 83.0919 83.048347175 1H-imidazol-5-amine 5-aminoimidazole 4919-03-3 NC1=CN=CN1 InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6) QRZMXADUXZADTF-UHFFFAOYSA-N belongs to the class of organic compounds known as aminoimidazoles. These are organic compounds containing an amino group linked to an imidazole ring. Organic compounds Organoheterocyclic compounds Azoles Imidazoles Aminoimidazoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organopnictogen compounds Primary amines Amine Aminoimidazole Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Primary amine Aromatic heteromonocyclic compounds a small molecule aminoimidazole Solid logp -1.08 ALOGPS logs 0.58 ALOGPS logp -0.88 ChemAxon pka_strongest_acidic 13.84 ChemAxon pka_strongest_basic 8.36 ChemAxon iupac 1H-imidazol-5-amine ChemAxon average_mass 83.0919 ChemAxon mono_mass 83.048347175 ChemAxon smiles NC1=CN=CN1 ChemAxon formula C3H5N3 ChemAxon inchi InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6) ChemAxon inchikey QRZMXADUXZADTF-UHFFFAOYSA-N ChemAxon polar_surface_area 54.7 ChemAxon refractivity 22.97 ChemAxon polarizability 7.97 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2079 Specdb::MsIr 2080 Specdb::MsIr 2081 Specdb::NmrOneD 149700 Specdb::NmrOneD 149701 Specdb::NmrOneD 149702 Specdb::NmrOneD 149703 Specdb::NmrOneD 149704 Specdb::NmrOneD 149705 Specdb::NmrOneD 149706 Specdb::NmrOneD 149707 Specdb::NmrOneD 149708 Specdb::NmrOneD 149709 Specdb::NmrOneD 149710 Specdb::NmrOneD 149711 Specdb::NmrOneD 149712 Specdb::NmrOneD 149713 Specdb::NmrOneD 149714 Specdb::NmrOneD 149715 Specdb::NmrOneD 149716 Specdb::NmrOneD 149717 Specdb::NmrOneD 149718 Specdb::NmrOneD 149719 Specdb::MsMs 309445 Specdb::MsMs 309446 Specdb::MsMs 309447 Specdb::MsMs 353872 Specdb::MsMs 353873 Specdb::MsMs 353874 Specdb::MsMs 2270982 Specdb::MsMs 2270983 Specdb::MsMs 2270984 Specdb::MsMs 3068548 Specdb::MsMs 3068549 Specdb::MsMs 3068550 Specdb::CMs 19531 Specdb::CMs 168532 FDB023250 470 484 C05239 16607 CPD-54 6989