5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine

C18H14ClN7 — CID 50963786

IUPAC5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
SMILESClc1ccc(-n2nc(C3CC3)nc2-c2ccc(-n3cnnc3)nc2)cc1
InChIInChI=1S/C18H14ClN7/c19-14-4-6-15(7-5-14)26-18(23-17(24-26)12-1-2-12)13-3-8-16(20-9-13)25-10-21-22-11-25/h3-12H,1-2H2
InChIKeyQEMQSINQAVTOKW-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.44
Rot. Bonds4

About 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine

5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 50963786) has the molecular formula C18H14ClN7 and a molecular weight of 363.81 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID50963786
Molecular FormulaC18H14ClN7
Molecular Weight363.81 g/mol
Exact Mass363.10
IUPAC Name5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
SMILESClc1ccc(-n2nc(C3CC3)nc2-c2ccc(-n3cnnc3)nc2)cc1
InChIInChI=1S/C18H14ClN7/c19-14-4-6-15(7-5-14)26-18(23-17(24-26)12-1-2-12)13-3-8-16(20-9-13)25-10-21-22-11-25/h3-12H,1-2H2
InChIKeyQEMQSINQAVTOKW-UHFFFAOYSA-N
XLogP3.44
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine with MolForge

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Related Compounds

2-[5-cyclopropyl-2-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]-6-(1,2,4-triazol-4-yl)pyridine
CID 50976888
2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine
CID 50960292
4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine
CID 72936138
1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 14027597
5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole
CID 14531280
1-(4-chlorophenyl)-5-cyclopropyltriazol-4-amine
CID 79501505
2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine
CID 98020555
4-[5-chloro-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 30032776
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
CID 13163603
5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)pyrimidine;dioxoplatinum
CID 161025882
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489777
6-chloro-2-[2-(1-methylpyrazol-4-yl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine
CID 138379098

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine (CID 50963786) is 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine is Clc1ccc(-n2nc(C3CC3)nc2-c2ccc(-n3cnnc3)nc2)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is QEMQSINQAVTOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7/c19-14-4-6-15(7-5-14)26-18(23-17(24-26)12-1-2-12)13-3-8-16(20-9-13)25-10-21-22-11-25/h3-12H,1-2H2.
What are the key properties of 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 363.81 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 50963786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).