Molecular Identity
creatinine
2-amino-3-methyl-4H-imidazol-5-one
PubChem CID: 588
Creatinine is a lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine. It has a role as a diagnostic agent and a human metabolite. It is a lactam and an imidazolidinone. It is functionally related to a creatine.
2D Structure
Properties
C4H7N3O
Molecular Formula
113.12
Molecular Weight
g/mol
113.0589
Exact Mass
Da
-1.8
XLogP
Drug-like (Lipinski: < 5)
58.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
151
Complexity
SMILES
Canonical SMILES
SMILES: CN1CC(=O)N=C1NIsomeric SMILES
SMILES: CN1CC(=O)N=C1NSynonyms(20)
2-Imino-1-methylimidazolidin-4-one1-Methylglycocyamidine1-Methylhydantoin-2-imideKreatininCreatinine,heatedKreatininum2-amino-1-methylimidazolin-4-one2-amino-3-methyl-4H-imidazol-5-one2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-creatininaNSC-13123AYI8EX34EU2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-oneCHEMBL65567
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to creatinine
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