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

C9H10ClN3 — CID 123711353

IUPAC5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=C(Cl)C1=C(C)CCc2nncn21
InChIInChI=1S/C9H10ClN3/c1-6-3-4-8-12-11-5-13(8)9(6)7(2)10/h5H,2-4H2,1H3
InChIKeyJGRGBTXBXKATKH-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.21
Rot. Bonds1

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

5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 123711353) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID123711353
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=C(Cl)C1=C(C)CCc2nncn21
InChIInChI=1S/C9H10ClN3/c1-6-3-4-8-12-11-5-13(8)9(6)7(2)10/h5H,2-4H2,1H3
InChIKeyJGRGBTXBXKATKH-UHFFFAOYSA-N
XLogP2.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Fluoroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123363488
5-(Fluoromethyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123905242
5,6-Bis(ethenyl)-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123240038
5-(1-Chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123374902
5-(1-Chloroethenyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123649447
5,6-Dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123757273
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
7-Methyl-5,6-dimethylidene-[1,2,4]triazolo[4,3-a]pyridine
CID 143517645

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 123711353) is 5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is C=C(Cl)C1=C(C)CCc2nncn21.
What is the InChIKey of 5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JGRGBTXBXKATKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c1-6-3-4-8-12-11-5-13(8)9(6)7(2)10/h5H,2-4H2,1H3.
What are the key properties of 5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 195.65 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethenyl)-6-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 123711353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).