3-methyl-2H-imidazole-1-carboxamide

C5H9N3O — CID 21282032

IUPAC3-methyl-2H-imidazole-1-carboxamide
SMILESCN1C=CN(C(N)=O)C1
InChIInChI=1S/C5H9N3O/c1-7-2-3-8(4-7)5(6)9/h2-3H,4H2,1H3,(H2,6,9)
InChIKeyBDPNUYCWSYCZAP-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.26
Rot. Bonds

About 3-methyl-2H-imidazole-1-carboxamide

3-methyl-2H-imidazole-1-carboxamide (PubChem CID 21282032) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-methyl-2H-imidazole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-2H-imidazole-1-carboxamide
PubChem CID21282032
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name3-methyl-2H-imidazole-1-carboxamide
SMILESCN1C=CN(C(N)=O)C1
InChIInChI=1S/C5H9N3O/c1-7-2-3-8(4-7)5(6)9/h2-3H,4H2,1H3,(H2,6,9)
InChIKeyBDPNUYCWSYCZAP-UHFFFAOYSA-N
XLogP-0.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-imidazole-1-carboxamide?
The IUPAC name of 3-methyl-2H-imidazole-1-carboxamide (CID 21282032) is 3-methyl-2H-imidazole-1-carboxamide.
What is the SMILES notation for 3-methyl-2H-imidazole-1-carboxamide?
The canonical SMILES for 3-methyl-2H-imidazole-1-carboxamide is CN1C=CN(C(N)=O)C1.
What is the InChIKey of 3-methyl-2H-imidazole-1-carboxamide?
The InChIKey is BDPNUYCWSYCZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-7-2-3-8(4-7)5(6)9/h2-3H,4H2,1H3,(H2,6,9).
What are the key properties of 3-methyl-2H-imidazole-1-carboxamide?
3-methyl-2H-imidazole-1-carboxamide has a molecular weight of 127.15 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-imidazole-1-carboxamide is sourced from PubChem (CID 21282032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).