1-amino-5-pentylimidazole-4-carboxamide

C9H16N4O — CID 174369913

IUPAC1-amino-5-pentylimidazole-4-carboxamide
SMILESCCCCCc1c(C(N)=O)ncn1N
InChIInChI=1S/C9H16N4O/c1-2-3-4-5-7-8(9(10)14)12-6-13(7)11/h6H,2-5,11H2,1H3,(H2,10,14)
InChIKeyCPOZBCVAOBYMIE-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.43
Rot. Bonds5

About 1-amino-5-pentylimidazole-4-carboxamide

1-amino-5-pentylimidazole-4-carboxamide (PubChem CID 174369913) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-amino-5-pentylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-amino-5-pentylimidazole-4-carboxamide
PubChem CID174369913
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-amino-5-pentylimidazole-4-carboxamide
SMILESCCCCCc1c(C(N)=O)ncn1N
InChIInChI=1S/C9H16N4O/c1-2-3-4-5-7-8(9(10)14)12-6-13(7)11/h6H,2-5,11H2,1H3,(H2,10,14)
InChIKeyCPOZBCVAOBYMIE-UHFFFAOYSA-N
XLogP0.43
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,5-diaminoimidazole-4-carboxamide
CID 55289847
3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175893742
4-amino-1-heptylpyrazole-3-carboxamide
CID 107345098
3-hexylpyridine-2,6-dicarboxamide
CID 70459845
3-pentylquinoxaline-2-carboxamide
CID 141031163
3-octyl-1,2,4-triazol-4-amine
CID 165358643
5-amino-1-(2-hydroxynonan-3-yl)imidazole-4-carboxamide;hydrochloride
CID 70515812
2-pentyl-1H-imidazole-5-carboxamide
CID 68638912
5-butyl-1-pentyltriazole-4-carboxylic acid
CID 82205585
3-N-dodecylpyrazine-2,3-dicarboxamide
CID 66771838
3-butyl-1,2,4-triazole-1-carboxamide
CID 150268150
4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-pentylimidazole-4-carboxamide?
The IUPAC name of 1-amino-5-pentylimidazole-4-carboxamide (CID 174369913) is 1-amino-5-pentylimidazole-4-carboxamide.
What is the SMILES notation for 1-amino-5-pentylimidazole-4-carboxamide?
The canonical SMILES for 1-amino-5-pentylimidazole-4-carboxamide is CCCCCc1c(C(N)=O)ncn1N.
What is the InChIKey of 1-amino-5-pentylimidazole-4-carboxamide?
The InChIKey is CPOZBCVAOBYMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-3-4-5-7-8(9(10)14)12-6-13(7)11/h6H,2-5,11H2,1H3,(H2,10,14).
What are the key properties of 1-amino-5-pentylimidazole-4-carboxamide?
1-amino-5-pentylimidazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-pentylimidazole-4-carboxamide is sourced from PubChem (CID 174369913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).