4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

C14H10N4 — CID 122540392

IUPAC4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C14H10N4/c1-10-6-13(18-14(7-10)16-9-17-18)12-4-2-11(8-15)3-5-12/h2-7,9H,1H3
InChIKeyOAEPDIOJHOTRRM-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.58
Rot. Bonds1

About 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 122540392) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID122540392
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESCc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C14H10N4/c1-10-6-13(18-14(7-10)16-9-17-18)12-4-2-11(8-15)3-5-12/h2-7,9H,1H3
InChIKeyOAEPDIOJHOTRRM-UHFFFAOYSA-N
XLogP2.58
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zaleplon
CID 5719
3-Methyl-6-(3-(trifluoromethyl)phenyl)-1,2,4-triazolo(4,3-b)pyridazine
CID 107950
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
1-(tert-Butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 10492061
1,2,4-Triazolo(3,4-a)phthalazine, 6-phenyl-
CID 97338
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3MB-PP1
CID 24865390
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (CID 122540392) is 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is Cc1cc(-c2ccc(C#N)cc2)n2ncnc2c1.
What is the InChIKey of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is OAEPDIOJHOTRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-10-6-13(18-14(7-10)16-9-17-18)12-4-2-11(8-15)3-5-12/h2-7,9H,1H3.
What are the key properties of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 122540392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).