N-methyl-1H-imidazole-5-carboxamide

C5H7N3O — CID 565659

IUPACN-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1cnc[nH]1
InChIInChI=1S/C5H7N3O/c1-6-5(9)4-2-7-3-8-4/h2-3H,1H3,(H,6,9)(H,7,8)
InChIKeyFLFMCBMWUDAGSD-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.23
Rot. Bonds1

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

N-methyl-1H-imidazole-5-carboxamide (PubChem CID 565659) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1H-imidazole-5-carboxamide
PubChem CID565659
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC NameN-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1cnc[nH]1
InChIInChI=1S/C5H7N3O/c1-6-5(9)4-2-7-3-8-4/h2-3H,1H3,(H,6,9)(H,7,8)
InChIKeyFLFMCBMWUDAGSD-UHFFFAOYSA-N
XLogP-0.23
TPSA57.78 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 ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-methyl-1H-imidazole-5-carboxamide (CID 565659) is N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-methyl-1H-imidazole-5-carboxamide is CNC(=O)c1cnc[nH]1.
What is the InChIKey of N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is FLFMCBMWUDAGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-6-5(9)4-2-7-3-8-4/h2-3H,1H3,(H,6,9)(H,7,8).
What are the key properties of N-methyl-1H-imidazole-5-carboxamide?
N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 125.13 g/mol, XLogP of -0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 565659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).