3-methylimidazole-4-carboxamide

C5H7N3O — CID 2736884

IUPAC3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(N)=O
InChIInChI=1S/C5H7N3O/c1-8-3-7-2-4(8)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyFFEDTKQANJQNBP-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.48
Rot. Bonds1

About 3-methylimidazole-4-carboxamide

3-methylimidazole-4-carboxamide (PubChem CID 2736884) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-methylimidazole-4-carboxamide
PubChem CID2736884
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(N)=O
InChIInChI=1S/C5H7N3O/c1-8-3-7-2-4(8)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKeyFFEDTKQANJQNBP-UHFFFAOYSA-N
XLogP-0.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylimidazole-4-carboxamide?
The IUPAC name of 3-methylimidazole-4-carboxamide (CID 2736884) is 3-methylimidazole-4-carboxamide.
What is the SMILES notation for 3-methylimidazole-4-carboxamide?
The canonical SMILES for 3-methylimidazole-4-carboxamide is Cn1cncc1C(N)=O.
What is the InChIKey of 3-methylimidazole-4-carboxamide?
The InChIKey is FFEDTKQANJQNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-8-3-7-2-4(8)5(6)9/h2-3H,1H3,(H2,6,9).
What are the key properties of 3-methylimidazole-4-carboxamide?
3-methylimidazole-4-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazole-4-carboxamide is sourced from PubChem (CID 2736884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).