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

C14H13N3O — CID 117146892

IUPAC3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESCc1cccc(Cc2nnc3c(O)cccn23)c1
InChIInChI=1S/C14H13N3O/c1-10-4-2-5-11(8-10)9-13-15-16-14-12(18)6-3-7-17(13)14/h2-8,18H,9H2,1H3
InChIKeyRWEROFNNQDMBAG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds2

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

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 117146892) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID117146892
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESCc1cccc(Cc2nnc3c(O)cccn23)c1
InChIInChI=1S/C14H13N3O/c1-10-4-2-5-11(8-10)9-13-15-16-14-12(18)6-3-7-17(13)14/h2-8,18H,9H2,1H3
InChIKeyRWEROFNNQDMBAG-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-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147016
6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139519
[4-methyl-5-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593949
3-benzyl-N-(2-hydroxy-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367480
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146975
8-chloro-3-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146916
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62539041
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147677
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142747
[5-[(3-methylphenyl)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 112594127
3-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146178
3-(bromomethyl)-5-[(3-methylphenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302508

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 117146892) is 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol is Cc1cccc(Cc2nnc3c(O)cccn23)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is RWEROFNNQDMBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-4-2-5-11(8-10)9-13-15-16-14-12(18)6-3-7-17(13)14/h2-8,18H,9H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
3-[(3-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-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 117146892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).