2,4,5-trimethylimidazole-1-carboxamide

C7H11N3O — CID 22165649

IUPAC2,4,5-trimethylimidazole-1-carboxamide
SMILESCc1nc(C)n(C(N)=O)c1C
InChIInChI=1S/C7H11N3O/c1-4-5(2)10(7(8)11)6(3)9-4/h1-3H3,(H2,8,11)
InChIKeyIANJRNVSFFIVNT-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.74
Rot. Bonds

About 2,4,5-trimethylimidazole-1-carboxamide

2,4,5-trimethylimidazole-1-carboxamide (PubChem CID 22165649) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2,4,5-trimethylimidazole-1-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethylimidazole-1-carboxamide
PubChem CID22165649
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2,4,5-trimethylimidazole-1-carboxamide
SMILESCc1nc(C)n(C(N)=O)c1C
InChIInChI=1S/C7H11N3O/c1-4-5(2)10(7(8)11)6(3)9-4/h1-3H3,(H2,8,11)
InChIKeyIANJRNVSFFIVNT-UHFFFAOYSA-N
XLogP0.74
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylimidazole-1-carboxamide?
The IUPAC name of 2,4,5-trimethylimidazole-1-carboxamide (CID 22165649) is 2,4,5-trimethylimidazole-1-carboxamide.
What is the SMILES notation for 2,4,5-trimethylimidazole-1-carboxamide?
The canonical SMILES for 2,4,5-trimethylimidazole-1-carboxamide is Cc1nc(C)n(C(N)=O)c1C.
What is the InChIKey of 2,4,5-trimethylimidazole-1-carboxamide?
The InChIKey is IANJRNVSFFIVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-5(2)10(7(8)11)6(3)9-4/h1-3H3,(H2,8,11).
What are the key properties of 2,4,5-trimethylimidazole-1-carboxamide?
2,4,5-trimethylimidazole-1-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylimidazole-1-carboxamide is sourced from PubChem (CID 22165649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).