4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole

C6H6ClN3 — CID 144630421

IUPAC4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole
SMILESC=Cc1nncn1C(=C)Cl
InChIInChI=1S/C6H6ClN3/c1-3-6-9-8-4-10(6)5(2)7/h3-4H,1-2H2
InChIKeyVNVBBYHLYVTSAF-UHFFFAOYSA-N
MW155.59 g/mol
LogP1.59
Rot. Bonds2

About 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole

4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole (PubChem CID 144630421) has the molecular formula C6H6ClN3 and a molecular weight of 155.59 g/mol. Its IUPAC name is 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole
PubChem CID144630421
Molecular FormulaC6H6ClN3
Molecular Weight155.59 g/mol
Exact Mass155.03
IUPAC Name4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole
SMILESC=Cc1nncn1C(=C)Cl
InChIInChI=1S/C6H6ClN3/c1-3-6-9-8-4-10(6)5(2)7/h3-4H,1-2H2
InChIKeyVNVBBYHLYVTSAF-UHFFFAOYSA-N
XLogP1.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.59
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-Dichloroethenyl)-1-methyl-1,2,4-triazole
CID 20491092
5H-pyrrolo[2,1-c][1,2,4]triazole
CID 22630679
3-Ethenyl-1-sulfanyl-1,2,4-triazole
CID 23225434
7H-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 54002540
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
5-Ethenyl-1-methyl-1,2,4-triazole
CID 115011042
6-bromo-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 117630031
4-Buta-1,3-dienyl-3-methyl-1,2,4-triazole
CID 123802732
1,5-Bis(ethenyl)-1,2,4-triazole
CID 126685157
N-[(Z)-2-(4-methyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 132003071
N-[(Z)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 132062339

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole?
The IUPAC name of 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole (CID 144630421) is 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole.
What is the SMILES notation for 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole?
The canonical SMILES for 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole is C=Cc1nncn1C(=C)Cl.
What is the InChIKey of 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole?
The InChIKey is VNVBBYHLYVTSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3/c1-3-6-9-8-4-10(6)5(2)7/h3-4H,1-2H2.
What are the key properties of 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole?
4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole has a molecular weight of 155.59 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethenyl)-3-ethenyl-1,2,4-triazole is sourced from PubChem (CID 144630421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).