4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide

C8H9N7O2 — CID 4873196

IUPAC4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide
SMILESCNC(=O)c1ncn2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C8H9N7O2/c1-11-8(17)4-7-14-13-3(6(10)16)5(9)15(7)2-12-4/h2H,9H2,1H3,(H2,10,16)(H,11,17)
InChIKeyFIQCMGVNVGPQLD-UHFFFAOYSA-N
MW235.21 g/mol
LogP-1.84
Rot. Bonds2

About 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide

4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide (PubChem CID 4873196) has the molecular formula C8H9N7O2 and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide.

Molecular Properties

Compound Name4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide
PubChem CID4873196
Molecular FormulaC8H9N7O2
Molecular Weight235.21 g/mol
Exact Mass235.08
IUPAC Name4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide
SMILESCNC(=O)c1ncn2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C8H9N7O2/c1-11-8(17)4-7-14-13-3(6(10)16)5(9)15(7)2-12-4/h2H,9H2,1H3,(H2,10,16)(H,11,17)
InChIKeyFIQCMGVNVGPQLD-UHFFFAOYSA-N
XLogP-1.84
TPSA141.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide?
The IUPAC name of 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide (CID 4873196) is 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide.
What is the SMILES notation for 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide?
The canonical SMILES for 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide is CNC(=O)c1ncn2c(N)c(C(N)=O)nnc12.
What is the InChIKey of 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide?
The InChIKey is FIQCMGVNVGPQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O2/c1-11-8(17)4-7-14-13-3(6(10)16)5(9)15(7)2-12-4/h2H,9H2,1H3,(H2,10,16)(H,11,17).
What are the key properties of 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide?
4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide has a molecular weight of 235.21 g/mol, XLogP of -1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-N-methylimidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide is sourced from PubChem (CID 4873196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).