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

C11H12ClN3 — CID 123374902

IUPAC5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CC1=C(C(=C)Cl)n2c(C)nnc2CC1
InChIInChI=1S/C11H12ClN3/c1-4-9-5-6-10-14-13-8(3)15(10)11(9)7(2)12/h4H,1-2,5-6H2,3H3
InChIKeyDATRETCXUFKEOR-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.68
Rot. Bonds2

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

5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 123374902) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID123374902
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=CC1=C(C(=C)Cl)n2c(C)nnc2CC1
InChIInChI=1S/C11H12ClN3/c1-4-9-5-6-10-14-13-8(3)15(10)11(9)7(2)12/h4H,1-2,5-6H2,3H3
InChIKeyDATRETCXUFKEOR-UHFFFAOYSA-N
XLogP2.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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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-Fluoroethyl)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123853050
4-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-5-propan-2-yl-1,2,4-triazole
CID 164090840
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)-3,6-dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123649447
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
3,5-dimethyl-4-[(3E,5E,7Z)-5-prop-1-en-2-ylnona-1,3,5,7-tetraen-4-yl]-1,2,4-triazole
CID 142902860

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 123374902) is 5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is C=CC1=C(C(=C)Cl)n2c(C)nnc2CC1.
What is the InChIKey of 5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is DATRETCXUFKEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-4-9-5-6-10-14-13-8(3)15(10)11(9)7(2)12/h4H,1-2,5-6H2,3H3.
What are the key properties of 5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 221.69 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethenyl)-6-ethenyl-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 123374902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).