4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

C13H9N5 — CID 122540318

IUPAC4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2c(N)ccc3ncnn23)cc1
InChIInChI=1S/C13H9N5/c14-7-9-1-3-10(4-2-9)13-11(15)5-6-12-16-8-17-18(12)13/h1-6,8H,15H2
InChIKeyJQSPRHORZWCDKZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.85
Rot. Bonds1

About 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile

4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (PubChem CID 122540318) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
PubChem CID122540318
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile
SMILESN#Cc1ccc(-c2c(N)ccc3ncnn23)cc1
InChIInChI=1S/C13H9N5/c14-7-9-1-3-10(4-2-9)13-11(15)5-6-12-16-8-17-18(12)13/h1-6,8H,15H2
InChIKeyJQSPRHORZWCDKZ-UHFFFAOYSA-N
XLogP1.85
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
N-(4-isopropylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308416
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
4-(6-{[(1s)-1-(Hydroxymethyl)-2-Methylpropyl]amino}imidazo[1,2-B]pyridazin-3-Yl)benzonitrile
CID 6419800
N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 25263282
Phd-1-IN-1
CID 122540724
Mpo-IN-4
CID 126650041
2-(Cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 900932
(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-p-tolyl-amine
CID 1429569
2-Methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1474430
1-isopropyl-3-p-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53345582

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The IUPAC name of 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile (CID 122540318) is 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The canonical SMILES for 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is N#Cc1ccc(-c2c(N)ccc3ncnn23)cc1.
What is the InChIKey of 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
The InChIKey is JQSPRHORZWCDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c14-7-9-1-3-10(4-2-9)13-11(15)5-6-12-16-8-17-18(12)13/h1-6,8H,15H2.
What are the key properties of 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile?
4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile has a molecular weight of 235.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 122540318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).