[1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate

C14H11N3O2 — CID 118164103

IUPAC[1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1ccc2nncn2c1
InChIInChI=1S/C14H11N3O2/c1-10-4-2-3-5-12(10)14(18)19-11-6-7-13-16-15-9-17(13)8-11/h2-9H,1H3
InChIKeyPPIMZVPRXFITSI-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.26
Rot. Bonds2

About [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate

[1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate (PubChem CID 118164103) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate.

Molecular Properties

Compound Name[1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate
PubChem CID118164103
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name[1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate
SMILESCc1ccccc1C(=O)Oc1ccc2nncn2c1
InChIInChI=1S/C14H11N3O2/c1-10-4-2-3-5-12(10)14(18)19-11-6-7-13-16-15-9-17(13)8-11/h2-9H,1H3
InChIKeyPPIMZVPRXFITSI-UHFFFAOYSA-N
XLogP2.26
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxycarbonylphenyl) 2-methylbenzoate
CID 576739
(4-carbonochloridoyl-3-methylphenyl) 2-methylbenzoate
CID 54117728
triethylsilyl 2-methylbenzoate
CID 102243806
nitroso 2-methylbenzoate
CID 175187431
trimethylsilyl 2-methylbenzoate
CID 577266
[4-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 2-methylbenzoate
CID 6022391
[[4-(2-methylbenzoyl)oxyiminocyclohexa-2,5-dien-1-ylidene]amino] 2-methylbenzoate
CID 5228996
bromo 2-methylbenzoate
CID 67185739
(4-phenoxyphenyl) 2,3-dimethylbenzoate
CID 7961917
ethane;methane;methyl 2-methylbenzoate
CID 168902289
[4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl] 2-methylbenzoate
CID 6595699
(4-oxopyrido[1,2-a]pyrimidin-2-yl) 2-methylbenzoate
CID 10564684

Frequently Asked Questions

What is the IUPAC name of [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate?
The IUPAC name of [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate (CID 118164103) is [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate.
What is the SMILES notation for [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate?
The canonical SMILES for [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate is Cc1ccccc1C(=O)Oc1ccc2nncn2c1.
What is the InChIKey of [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate?
The InChIKey is PPIMZVPRXFITSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-10-4-2-3-5-12(10)14(18)19-11-6-7-13-16-15-9-17(13)8-11/h2-9H,1H3.
What are the key properties of [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate?
[1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate has a molecular weight of 253.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,4]triazolo[4,3-a]pyridin-6-yl 2-methylbenzoate is sourced from PubChem (CID 118164103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).