3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

C14H10N4O — CID 122540437

IUPAC3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCOc1cc(C#N)ccc1-c1cccc2ncnn12
InChIInChI=1S/C14H10N4O/c1-19-13-7-10(8-15)5-6-11(13)12-3-2-4-14-16-9-17-18(12)14/h2-7,9H,1H3
InChIKeyZKWFDHAHAZNGPP-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.28
Rot. Bonds2

About 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 122540437) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID122540437
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCOc1cc(C#N)ccc1-c1cccc2ncnn12
InChIInChI=1S/C14H10N4O/c1-19-13-7-10(8-15)5-6-11(13)12-3-2-4-14-16-9-17-18(12)14/h2-7,9H,1H3
InChIKeyZKWFDHAHAZNGPP-UHFFFAOYSA-N
XLogP2.28
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-Methoxyphenyl)-2-methyl-5-(methylthio)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819135
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
Pyrazolo[1,5-a]-1,3,5-triazine, 12-8
CID 42618171
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
2-(2-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818819
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
1-isopropyl-3-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905169
3-(4-fluoro-3-methoxyphenyl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905175

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (CID 122540437) is 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is COc1cc(C#N)ccc1-c1cccc2ncnn12.
What is the InChIKey of 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is ZKWFDHAHAZNGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-19-13-7-10(8-15)5-6-11(13)12-3-2-4-14-16-9-17-18(12)14/h2-7,9H,1H3.
What are the key properties of 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 122540437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).