5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C10H12ClN3 — CID 123649447

IUPAC5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=C(Cl)C1=C(C)CCc2nnc(C)n21
InChIInChI=1S/C10H12ClN3/c1-6-4-5-9-13-12-8(3)14(9)10(6)7(2)11/h2,4-5H2,1,3H3
InChIKeyZEPDIPGMHAZYCB-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.52
Rot. Bonds1

About 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine

5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 123649447) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID123649447
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=C(Cl)C1=C(C)CCc2nnc(C)n21
InChIInChI=1S/C10H12ClN3/c1-6-4-5-9-13-12-8(3)14(9)10(6)7(2)11/h2,4-5H2,1,3H3
InChIKeyZEPDIPGMHAZYCB-UHFFFAOYSA-N
XLogP2.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethenyl-5-(1-fluoroethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123332773
5-(1-Fluoroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123363488
5-(1-Fluoroethyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123853050
5,6-Bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123240038
5-Ethyl-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123297633
5-(1-Chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123374902
5-(1-Chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123711353
5-Ethenyl-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123819444
5-Ethenyl-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123987415

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 123649447) is 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is C=C(Cl)C1=C(C)CCc2nnc(C)n21.
What is the InChIKey of 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZEPDIPGMHAZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-6-4-5-9-13-12-8(3)14(9)10(6)7(2)11/h2,4-5H2,1,3H3.
What are the key properties of 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 209.68 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 123649447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).