2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C14H13N3O — CID 117132590

IUPAC2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCc1cccc(Cc2nc3cccc(=O)n3[nH]2)c1
InChIInChI=1S/C14H13N3O/c1-10-4-2-5-11(8-10)9-12-15-13-6-3-7-14(18)17(13)16-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyLAJOXLBLMUYJDI-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.92
Rot. Bonds2

About 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132590) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132590
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCc1cccc(Cc2nc3cccc(=O)n3[nH]2)c1
InChIInChI=1S/C14H13N3O/c1-10-4-2-5-11(8-10)9-12-15-13-6-3-7-14(18)17(13)16-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyLAJOXLBLMUYJDI-UHFFFAOYSA-N
XLogP1.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
2-benzyl-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 935434
2-benzyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 3905946
2-(2-Phenylethyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666509
2-benzyl-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 934923
5-benzyl-2-[(4-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155536482
5-(4-fluorophenyl)-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 6462457
2,5-dibenzyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155530967
2-hexyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155534122
2-pentyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155534359
2-heptyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155548343
2-benzyl-5-[(4-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155548459

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132590) is 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is Cc1cccc(Cc2nc3cccc(=O)n3[nH]2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is LAJOXLBLMUYJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-4-2-5-11(8-10)9-12-15-13-6-3-7-14(18)17(13)16-12/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 239.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).