5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H12N6O — CID 66281597

IUPAC5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCc2cccnc2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H12N6O/c1-8-15-10(5-11-16-17-12(19)18(8)11)14-7-9-3-2-4-13-6-9/h2-6,14H,7H2,1H3,(H,17,19)
InChIKeyNQCKHDRFGKHVBT-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.73
Rot. Bonds3

About 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281597) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281597
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCc2cccnc2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H12N6O/c1-8-15-10(5-11-16-17-12(19)18(8)11)14-7-9-3-2-4-13-6-9/h2-6,14H,7H2,1H3,(H,17,19)
InChIKeyNQCKHDRFGKHVBT-UHFFFAOYSA-N
XLogP0.73
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281597) is 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NCc2cccnc2)cc2n[nH]c(=O)n12.
What is the InChIKey of 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is NQCKHDRFGKHVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-8-15-10(5-11-16-17-12(19)18(8)11)14-7-9-3-2-4-13-6-9/h2-6,14H,7H2,1H3,(H,17,19).
What are the key properties of 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 256.27 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).