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

C14H13N3O — CID 117132712

IUPAC2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCc1ccccc1Cc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C14H13N3O/c1-10-5-2-3-6-11(10)9-12-15-13-7-4-8-14(18)17(13)16-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyCLYFXGNMMRXLAD-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.92
Rot. Bonds2

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

2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117132712) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117132712
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCc1ccccc1Cc1nc2cccc(=O)n2[nH]1
InChIInChI=1S/C14H13N3O/c1-10-5-2-3-6-11(10)9-12-15-13-7-4-8-14(18)17(13)16-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyCLYFXGNMMRXLAD-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117132712) is 2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is Cc1ccccc1Cc1nc2cccc(=O)n2[nH]1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is CLYFXGNMMRXLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-5-2-3-6-11(10)9-12-15-13-7-4-8-14(18)17(13)16-12/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 2-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-[(2-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-[(2-methylphenyl)methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117132712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).