4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide

C8H12N4O — CID 174089409

IUPAC4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide
SMILESCCC(C)=Nc1nc[nH]c1C(N)=O
InChIInChI=1S/C8H12N4O/c1-3-5(2)12-8-6(7(9)13)10-4-11-8/h4H,3H2,1-2H3,(H2,9,13)(H,10,11)
InChIKeyIOKQZGIRIDMPMD-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.01
Rot. Bonds3

About 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide

4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide (PubChem CID 174089409) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide
PubChem CID174089409
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide
SMILESCCC(C)=Nc1nc[nH]c1C(N)=O
InChIInChI=1S/C8H12N4O/c1-3-5(2)12-8-6(7(9)13)10-4-11-8/h4H,3H2,1-2H3,(H2,9,13)(H,10,11)
InChIKeyIOKQZGIRIDMPMD-UHFFFAOYSA-N
XLogP1.01
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-diazenyl-1H-imidazole-5-carboxamide;methanol
CID 143820747
4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135518056
4-(diaminomethylideneamino)-1H-imidazole-5-carboxylic acid
CID 90774522
4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135459437
4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 166540383
2-[2-acetyloxyethyl-[(E)-(5-carbamoyl-1H-imidazol-4-yl)diazenyl]amino]ethyl acetate
CID 135459384
4-(15N)azanyl-1H-imidazole-5-(14N)carboxamide
CID 101129871
4-amino-1H-imidazole-5-carboxamide;molecular hydrogen
CID 161460316
4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide
CID 135441765
4-[2-(trideuteriomethylimino)hydrazinyl]-1H-imidazole-5-carboxamide
CID 135804075
2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide
CID 136655045
4-hydrazinyl-1H-imidazole-5-carboxamide
CID 12802223

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide (CID 174089409) is 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide is CCC(C)=Nc1nc[nH]c1C(N)=O.
What is the InChIKey of 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide?
The InChIKey is IOKQZGIRIDMPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-3-5(2)12-8-6(7(9)13)10-4-11-8/h4H,3H2,1-2H3,(H2,9,13)(H,10,11).
What are the key properties of 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide?
4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 174089409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).