5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide

C13H22N6O2 — CID 166960704

IUPAC5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide
SMILESCN(N)C(=O)n1cnc(C(=O)NC2CCC(C)(C)C2)c1N
InChIInChI=1S/C13H22N6O2/c1-13(2)5-4-8(6-13)17-11(20)9-10(14)19(7-16-9)12(21)18(3)15/h7-8H,4-6,14-15H2,1-3H3,(H,17,20)
InChIKeyVLMHNLLZWONPRQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.55
Rot. Bonds2

About 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide

5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide (PubChem CID 166960704) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide
PubChem CID166960704
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide
SMILESCN(N)C(=O)n1cnc(C(=O)NC2CCC(C)(C)C2)c1N
InChIInChI=1S/C13H22N6O2/c1-13(2)5-4-8(6-13)17-11(20)9-10(14)19(7-16-9)12(21)18(3)15/h7-8H,4-6,14-15H2,1-3H3,(H,17,20)
InChIKeyVLMHNLLZWONPRQ-UHFFFAOYSA-N
XLogP0.55
TPSA119.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide?
The IUPAC name of 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide (CID 166960704) is 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide is CN(N)C(=O)n1cnc(C(=O)NC2CCC(C)(C)C2)c1N.
What is the InChIKey of 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide?
The InChIKey is VLMHNLLZWONPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-13(2)5-4-8(6-13)17-11(20)9-10(14)19(7-16-9)12(21)18(3)15/h7-8H,4-6,14-15H2,1-3H3,(H,17,20).
What are the key properties of 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide?
5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[amino(methyl)carbamoyl]-N-(3,3-dimethylcyclopentyl)imidazole-4-carboxamide is sourced from PubChem (CID 166960704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).