3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol

C14H13N3O — CID 117147016

IUPAC3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESCc1ccc(Cc2nnc3c(O)cccn23)cc1
InChIInChI=1S/C14H13N3O/c1-10-4-6-11(7-5-10)9-13-15-16-14-12(18)3-2-8-17(13)14/h2-8,18H,9H2,1H3
InChIKeyHXHUUURCODNJFT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol

3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 117147016) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID117147016
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESCc1ccc(Cc2nnc3c(O)cccn23)cc1
InChIInChI=1S/C14H13N3O/c1-10-4-6-11(7-5-10)9-13-15-16-14-12(18)3-2-8-17(13)14/h2-8,18H,9H2,1H3
InChIKeyHXHUUURCODNJFT-UHFFFAOYSA-N
XLogP2.33
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
[3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-piperazin-1-ylmethanone
CID 84614482
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146975
3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367480
3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146178
8-methyl-3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine
CID 117147009
7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117144572
2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117146993
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62390046
3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058944

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 117147016) is 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol is Cc1ccc(Cc2nnc3c(O)cccn23)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is HXHUUURCODNJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-4-6-11(7-5-10)9-13-15-16-14-12(18)3-2-8-17(13)14/h2-8,18H,9H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol has a molecular weight of 239.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 117147016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).