3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

C17H14N4O — CID 46834952

IUPAC3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCOc1ccc(-c2cccc(C#N)c2)n2nc(C3CC3)nc12
InChIInChI=1S/C17H14N4O/c1-22-15-8-7-14(13-4-2-3-11(9-13)10-18)21-17(15)19-16(20-21)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3
InChIKeyNGEYFNPXMVFDKR-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.15
Rot. Bonds3

About 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 46834952) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID46834952
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCOc1ccc(-c2cccc(C#N)c2)n2nc(C3CC3)nc12
InChIInChI=1S/C17H14N4O/c1-22-15-8-7-14(13-4-2-3-11(9-13)10-18)21-17(15)19-16(20-21)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3
InChIKeyNGEYFNPXMVFDKR-UHFFFAOYSA-N
XLogP3.15
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.15
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
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
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
1-[3-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone
CID 46830049
4-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoic acid
CID 46830628
3-[2-(1-Hydroxymethyl-cyclopropyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-benzonitrile
CID 46830920
5-(2-Cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
CID 46831224
4-(2-Cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2,3-dihydroinden-1-one
CID 46831523
1-[5-(3-Cyanophenyl)-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46832632
2-Cyclopropyl-8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 46833824
1-[4-(2-Cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl]ethanone
CID 46834114

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (CID 46834952) is 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is COc1ccc(-c2cccc(C#N)c2)n2nc(C3CC3)nc12.
What is the InChIKey of 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is NGEYFNPXMVFDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-22-15-8-7-14(13-4-2-3-11(9-13)10-18)21-17(15)19-16(20-21)12-5-6-12/h2-4,7-9,12H,5-6H2,1H3.
What are the key properties of 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 290.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 46834952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).