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

C15H12N4O — CID 105392508

IUPAC3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCOc1ccc(Cc2nnc3ccc(C#N)cn23)cc1
InChIInChI=1S/C15H12N4O/c1-20-13-5-2-11(3-6-13)8-15-18-17-14-7-4-12(9-16)10-19(14)15/h2-7,10H,8H2,1H3
InChIKeyUTPGEXWRNDNMFE-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.20
Rot. Bonds3

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

3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (PubChem CID 105392508) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
PubChem CID105392508
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
SMILESCOc1ccc(Cc2nnc3ccc(C#N)cn23)cc1
InChIInChI=1S/C15H12N4O/c1-20-13-5-2-11(3-6-13)8-15-18-17-14-7-4-12(9-16)10-19(14)15/h2-7,10H,8H2,1H3
InChIKeyUTPGEXWRNDNMFE-UHFFFAOYSA-N
XLogP2.20
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392697
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]pyridine-6-carbonitrile
CID 105392548
3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392786
3-(2,5-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392647
3-[(2,3-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392560
3-[(3-fluorophenyl)methyl]-6-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117138056
6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117138066
3-[(4-methoxyphenyl)methyl]benzonitrile
CID 126697146
4-methoxy(13C)benzonitrile
CID 175991125
2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223229
3-[(4-bromophenyl)methyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139685

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile (CID 105392508) is 3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is COc1ccc(Cc2nnc3ccc(C#N)cn23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
The InChIKey is UTPGEXWRNDNMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-13-5-2-11(3-6-13)8-15-18-17-14-7-4-12(9-16)10-19(14)15/h2-7,10H,8H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile?
3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile is sourced from PubChem (CID 105392508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).