3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide

C6H9N3O2 — CID 175891570

IUPAC3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(=O)n(C)c1C(N)=O
InChIInChI=1S/C6H9N3O2/c1-3-4(5(7)10)9(2)6(11)8-3/h1-2H3,(H2,7,10)(H,8,11)
InChIKeyAIGAZWKTHGZUFI-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.88
Rot. Bonds1

About 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide

3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide (PubChem CID 175891570) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide
PubChem CID175891570
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(=O)n(C)c1C(N)=O
InChIInChI=1S/C6H9N3O2/c1-3-4(5(7)10)9(2)6(11)8-3/h1-2H3,(H2,7,10)(H,8,11)
InChIKeyAIGAZWKTHGZUFI-UHFFFAOYSA-N
XLogP-0.88
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide (CID 175891570) is 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide is Cc1[nH]c(=O)n(C)c1C(N)=O.
What is the InChIKey of 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide?
The InChIKey is AIGAZWKTHGZUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-4(5(7)10)9(2)6(11)8-3/h1-2H3,(H2,7,10)(H,8,11).
What are the key properties of 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide?
3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-oxo-1H-imidazole-4-carboxamide is sourced from PubChem (CID 175891570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).