4-(propan-2-ylamino)-1H-imidazole-5-carboxamide

C7H12N4O — CID 58431037

IUPAC4-(propan-2-ylamino)-1H-imidazole-5-carboxamide
SMILESCC(C)Nc1nc[nH]c1C(N)=O
InChIInChI=1S/C7H12N4O/c1-4(2)11-7-5(6(8)12)9-3-10-7/h3-4,11H,1-2H3,(H2,8,12)(H,9,10)
InChIKeyBMTQCCMVNHPRHL-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.33
Rot. Bonds3

About 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide

4-(propan-2-ylamino)-1H-imidazole-5-carboxamide (PubChem CID 58431037) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-1H-imidazole-5-carboxamide
PubChem CID58431037
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-(propan-2-ylamino)-1H-imidazole-5-carboxamide
SMILESCC(C)Nc1nc[nH]c1C(N)=O
InChIInChI=1S/C7H12N4O/c1-4(2)11-7-5(6(8)12)9-3-10-7/h3-4,11H,1-2H3,(H2,8,12)(H,9,10)
InChIKeyBMTQCCMVNHPRHL-UHFFFAOYSA-N
XLogP0.33
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide (CID 58431037) is 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide is CC(C)Nc1nc[nH]c1C(N)=O.
What is the InChIKey of 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide?
The InChIKey is BMTQCCMVNHPRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4(2)11-7-5(6(8)12)9-3-10-7/h3-4,11H,1-2H3,(H2,8,12)(H,9,10).
What are the key properties of 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide?
4-(propan-2-ylamino)-1H-imidazole-5-carboxamide has a molecular weight of 168.20 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 58431037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).