3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine

C18H16ClN3 — CID 118709259

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(C2(c3nnc4c(C5CC5)cccn34)CC2)cc1
InChIInChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2
InChIKeyDSIKPABWAOKGSR-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.34
Rot. Bonds3

About 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 118709259) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID118709259
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc(C2(c3nnc4c(C5CC5)cccn34)CC2)cc1
InChIInChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2
InChIKeyDSIKPABWAOKGSR-UHFFFAOYSA-N
XLogP4.34
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

Bms-823778
CID 54669979
2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
CID 68866
2-(3-(1-(4-Chlorophenyl)cyclopropyl)-(1,2,4)triazolo(4,3-a)pyridin-8-yl)propan-2-ol
CID 42634627
3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
3-(Cyclopropylmethyl)-7-((4-phenyl-1-piperidinyl)methyl)-8-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyridine
CID 49822115
3-[3-[1-(4-Chlorophenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-methylbutan-1-ol
CID 57652306
3-[1-(4-Chlorophenyl)cyclopropyl]-8-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 91039859
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423
7-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 735871
3-Chloro-6-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474425

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine (CID 118709259) is 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc(C2(c3nnc4c(C5CC5)cccn34)CC2)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is DSIKPABWAOKGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c19-14-7-5-13(6-8-14)18(9-10-18)17-21-20-16-15(12-3-4-12)2-1-11-22(16)17/h1-2,5-8,11-12H,3-4,9-10H2.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 309.80 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 118709259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).