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

C17H15ClN4 — CID 50960292

IUPAC2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine
SMILESClc1ccc(-n2nc(C3CC3)nc2Cc2ccccn2)cc1
InChIInChI=1S/C17H15ClN4/c18-13-6-8-15(9-7-13)22-16(11-14-3-1-2-10-19-14)20-17(21-22)12-4-5-12/h1-3,6-10,12H,4-5,11H2
InChIKeyGPRGFLLOLOUUBE-UHFFFAOYSA-N
MW310.79 g/mol
LogP3.78
Rot. Bonds4

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

2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine (PubChem CID 50960292) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine
PubChem CID50960292
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC Name2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine
SMILESClc1ccc(-n2nc(C3CC3)nc2Cc2ccccn2)cc1
InChIInChI=1S/C17H15ClN4/c18-13-6-8-15(9-7-13)22-16(11-14-3-1-2-10-19-14)20-17(21-22)12-4-5-12/h1-3,6-10,12H,4-5,11H2
InChIKeyGPRGFLLOLOUUBE-UHFFFAOYSA-N
XLogP3.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]phenol
CID 72845786
2-(4-chlorophenyl)-5-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299392
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 83468973
5-[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
CID 50963786
(3R)-1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 92986922
1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46048874
2-[3-cyclopropyl-5-(oxolan-2-ylmethoxymethyl)-1,2,4-triazol-1-yl]pyridine
CID 50961433
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
[5-chloro-2-(pyridin-2-ylmethyl)phenyl]methanamine
CID 66161310
4-chloro-2-(pyridin-2-ylmethyl)aniline
CID 14005180
(3R)-1-(4-chlorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93059075
1-(4-chlorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46048881

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine (CID 50960292) is 2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine is Clc1ccc(-n2nc(C3CC3)nc2Cc2ccccn2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine?
The InChIKey is GPRGFLLOLOUUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c18-13-6-8-15(9-7-13)22-16(11-14-3-1-2-10-19-14)20-17(21-22)12-4-5-12/h1-3,6-10,12H,4-5,11H2.
What are the key properties of 2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine?
2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine has a molecular weight of 310.79 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]methyl]pyridine is sourced from PubChem (CID 50960292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).