1-methylimidazole-4,5-dicarboxamide

C6H8N4O2 — CID 597698

IUPAC1-methylimidazole-4,5-dicarboxamide
SMILESCn1cnc(C(N)=O)c1C(N)=O
InChIInChI=1S/C6H8N4O2/c1-10-2-9-3(5(7)11)4(10)6(8)12/h2H,1H3,(H2,7,11)(H2,8,12)
InChIKeyYSIRHNSNQUYYME-UHFFFAOYSA-N
MW168.16 g/mol
LogP-1.38
Rot. Bonds2

About 1-methylimidazole-4,5-dicarboxamide

1-methylimidazole-4,5-dicarboxamide (PubChem CID 597698) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-methylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-methylimidazole-4,5-dicarboxamide
PubChem CID597698
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name1-methylimidazole-4,5-dicarboxamide
SMILESCn1cnc(C(N)=O)c1C(N)=O
InChIInChI=1S/C6H8N4O2/c1-10-2-9-3(5(7)11)4(10)6(8)12/h2H,1H3,(H2,7,11)(H2,8,12)
InChIKeyYSIRHNSNQUYYME-UHFFFAOYSA-N
XLogP-1.38
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-methylimidazole-4,5-dicarboxamide (CID 597698) is 1-methylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-methylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-methylimidazole-4,5-dicarboxamide is Cn1cnc(C(N)=O)c1C(N)=O.
What is the InChIKey of 1-methylimidazole-4,5-dicarboxamide?
The InChIKey is YSIRHNSNQUYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-10-2-9-3(5(7)11)4(10)6(8)12/h2H,1H3,(H2,7,11)(H2,8,12).
What are the key properties of 1-methylimidazole-4,5-dicarboxamide?
1-methylimidazole-4,5-dicarboxamide has a molecular weight of 168.16 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 597698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).