2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

C14H10N4 — CID 155635456

IUPAC2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILES[C-]#[N+]c1cccc(-c2nc3c(C)cccn3n2)c1
InChIInChI=1S/C14H10N4/c1-10-5-4-8-18-14(10)16-13(17-18)11-6-3-7-12(9-11)15-2/h3-9H,1H3
InChIKeyYPCJANQQLNDJKV-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.26
Rot. Bonds1

About 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155635456) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID155635456
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILES[C-]#[N+]c1cccc(-c2nc3c(C)cccn3n2)c1
InChIInChI=1S/C14H10N4/c1-10-5-4-8-18-14(10)16-13(17-18)11-6-3-7-12(9-11)15-2/h3-9H,1H3
InChIKeyYPCJANQQLNDJKV-UHFFFAOYSA-N
XLogP3.26
TPSA34.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127903
2-(3,4-dichlorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566300
2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 137376192
2-(3-bromo-5-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566311
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616
5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
CID 83967080
2-(5-chlorofuran-2-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117137110
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566733
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566978
2-methoxy-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 116989886
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 117137585
8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonitrile
CID 116989824

Frequently Asked Questions

What is the IUPAC name of 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 155635456) is 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is [C-]#[N+]c1cccc(-c2nc3c(C)cccn3n2)c1.
What is the InChIKey of 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YPCJANQQLNDJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-10-5-4-8-18-14(10)16-13(17-18)11-6-3-7-12(9-11)15-2/h3-9H,1H3.
What are the key properties of 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 234.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155635456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).