1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one

C19H16FN7O — CID 157295282

IUPAC1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
SMILESCc1ccc(F)c(CC(=O)Cc2cnc(-c3cccc4nnc(N)n34)nn2)c1
InChIInChI=1S/C19H16FN7O/c1-11-5-6-15(20)12(7-11)8-14(28)9-13-10-22-18(25-23-13)16-3-2-4-17-24-26-19(21)27(16)17/h2-7,10H,8-9H2,1H3,(H2,21,26)
InChIKeyZCGDYXAFVGTSIZ-UHFFFAOYSA-N
MW377.38 g/mol
LogP1.97
Rot. Bonds5

About 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one

1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one (PubChem CID 157295282) has the molecular formula C19H16FN7O and a molecular weight of 377.38 g/mol. Its IUPAC name is 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
PubChem CID157295282
Molecular FormulaC19H16FN7O
Molecular Weight377.38 g/mol
Exact Mass377.14
IUPAC Name1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one
SMILESCc1ccc(F)c(CC(=O)Cc2cnc(-c3cccc4nnc(N)n34)nn2)c1
InChIInChI=1S/C19H16FN7O/c1-11-5-6-15(20)12(7-11)8-14(28)9-13-10-22-18(25-23-13)16-3-2-4-17-24-26-19(21)27(16)17/h2-7,10H,8-9H2,1H3,(H2,21,26)
InChIKeyZCGDYXAFVGTSIZ-UHFFFAOYSA-N
XLogP1.97
TPSA111.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one?
The IUPAC name of 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one (CID 157295282) is 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one.
What is the SMILES notation for 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one?
The canonical SMILES for 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one is Cc1ccc(F)c(CC(=O)Cc2cnc(-c3cccc4nnc(N)n34)nn2)c1.
What is the InChIKey of 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one?
The InChIKey is ZCGDYXAFVGTSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN7O/c1-11-5-6-15(20)12(7-11)8-14(28)9-13-10-22-18(25-23-13)16-3-2-4-17-24-26-19(21)27(16)17/h2-7,10H,8-9H2,1H3,(H2,21,26).
What are the key properties of 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one?
1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one has a molecular weight of 377.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-1,2,4-triazin-6-yl]-3-(2-fluoro-5-methylphenyl)propan-2-one is sourced from PubChem (CID 157295282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).