5-methyl-1H-imidazole-4-carboxamide

C5H7N3O — CID 5271241

IUPAC5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(N)=O
InChIInChI=1S/C5H7N3O/c1-3-4(5(6)9)8-2-7-3/h2H,1H3,(H2,6,9)(H,7,8)
InChIKeyOBMQVZVVUYIGHX-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.18
Rot. Bonds1

About 5-methyl-1H-imidazole-4-carboxamide

5-methyl-1H-imidazole-4-carboxamide (PubChem CID 5271241) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1H-imidazole-4-carboxamide
PubChem CID5271241
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name5-methyl-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(N)=O
InChIInChI=1S/C5H7N3O/c1-3-4(5(6)9)8-2-7-3/h2H,1H3,(H2,6,9)(H,7,8)
InChIKeyOBMQVZVVUYIGHX-UHFFFAOYSA-N
XLogP-0.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-1H-imidazole-4-carboxamide (CID 5271241) is 5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(N)=O.
What is the InChIKey of 5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is OBMQVZVVUYIGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-3-4(5(6)9)8-2-7-3/h2H,1H3,(H2,6,9)(H,7,8).
What are the key properties of 5-methyl-1H-imidazole-4-carboxamide?
5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 5271241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).