3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

C14H10N4O — CID 105392548

IUPAC3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(Cc3cccc(O)c3)n2c1
InChIInChI=1S/C14H10N4O/c15-8-11-4-5-13-16-17-14(18(13)9-11)7-10-2-1-3-12(19)6-10/h1-6,9,19H,7H2
InChIKeyPBJVKUIODLWPDN-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.90
Rot. Bonds2

About 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile

3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392548) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392548
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nnc(Cc3cccc(O)c3)n2c1
InChIInChI=1S/C14H10N4O/c15-8-11-4-5-13-16-17-14(18(13)9-11)7-10-2-1-3-12(19)6-10/h1-6,9,19H,7H2
InChIKeyPBJVKUIODLWPDN-UHFFFAOYSA-N
XLogP1.90
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392813
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139567
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388791
3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392697
3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392508
3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392560
3-[[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 117143369
6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139519
3-[(3-bromophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393209
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392786
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62539041
3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139687

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392548) is 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is N#Cc1ccc2nnc(Cc3cccc(O)c3)n2c1.
What is the InChIKey of 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is PBJVKUIODLWPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-8-11-4-5-13-16-17-14(18(13)9-11)7-10-2-1-3-12(19)6-10/h1-6,9,19H,7H2.
What are the key properties of 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).