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

C16H14ClN3 — CID 118709260

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12
InChIInChI=1S/C16H14ClN3/c1-11-3-2-10-20-14(11)18-19-15(20)16(8-9-16)12-4-6-13(17)7-5-12/h2-7,10H,8-9H2,1H3
InChIKeyCMPKUQJCGVJOQI-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.77
Rot. Bonds2

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

3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 118709260) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID118709260
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12
InChIInChI=1S/C16H14ClN3/c1-11-3-2-10-20-14(11)18-19-15(20)16(8-9-16)12-4-6-13(17)7-5-12/h2-7,10H,8-9H2,1H3
InChIKeyCMPKUQJCGVJOQI-UHFFFAOYSA-N
XLogP3.77
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 118709260) is 3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine is Cc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CMPKUQJCGVJOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-3-2-10-20-14(11)18-19-15(20)16(8-9-16)12-4-6-13(17)7-5-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(4-chlorophenyl)cyclopropyl]-8-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 283.76 g/mol, XLogP of 3.77, 2 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-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 118709260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).