5-amino-1-N-methylimidazole-1,4-dicarboxamide

C6H9N5O2 — CID 11041381

IUPAC5-amino-1-N-methylimidazole-1,4-dicarboxamide
SMILESCNC(=O)n1cnc(C(N)=O)c1N
InChIInChI=1S/C6H9N5O2/c1-9-6(13)11-2-10-3(4(11)7)5(8)12/h2H,7H2,1H3,(H2,8,12)(H,9,13)
InChIKeyAGQNTADHDRGUOT-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.25
Rot. Bonds1

About 5-amino-1-N-methylimidazole-1,4-dicarboxamide

5-amino-1-N-methylimidazole-1,4-dicarboxamide (PubChem CID 11041381) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-amino-1-N-methylimidazole-1,4-dicarboxamide.

Molecular Properties

Compound Name5-amino-1-N-methylimidazole-1,4-dicarboxamide
PubChem CID11041381
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name5-amino-1-N-methylimidazole-1,4-dicarboxamide
SMILESCNC(=O)n1cnc(C(N)=O)c1N
InChIInChI=1S/C6H9N5O2/c1-9-6(13)11-2-10-3(4(11)7)5(8)12/h2H,7H2,1H3,(H2,8,12)(H,9,13)
InChIKeyAGQNTADHDRGUOT-UHFFFAOYSA-N
XLogP-1.25
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-N-methylimidazole-1,4-dicarboxamide?
The IUPAC name of 5-amino-1-N-methylimidazole-1,4-dicarboxamide (CID 11041381) is 5-amino-1-N-methylimidazole-1,4-dicarboxamide.
What is the SMILES notation for 5-amino-1-N-methylimidazole-1,4-dicarboxamide?
The canonical SMILES for 5-amino-1-N-methylimidazole-1,4-dicarboxamide is CNC(=O)n1cnc(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-N-methylimidazole-1,4-dicarboxamide?
The InChIKey is AGQNTADHDRGUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-9-6(13)11-2-10-3(4(11)7)5(8)12/h2H,7H2,1H3,(H2,8,12)(H,9,13).
What are the key properties of 5-amino-1-N-methylimidazole-1,4-dicarboxamide?
5-amino-1-N-methylimidazole-1,4-dicarboxamide has a molecular weight of 183.17 g/mol, XLogP of -1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-N-methylimidazole-1,4-dicarboxamide is sourced from PubChem (CID 11041381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).