4-ethenyl-3,5-dimethyl-1,2,4-triazole

C6H9N3 — CID 142939028

IUPAC4-ethenyl-3,5-dimethyl-1,2,4-triazole
SMILESC=Cn1c(C)nnc1C
InChIInChI=1S/C6H9N3/c1-4-9-5(2)7-8-6(9)3/h4H,1H2,2-3H3
InChIKeyXERLYXBAHYJXPI-UHFFFAOYSA-N
MW123.16 g/mol
LogP1.00
Rot. Bonds1

About 4-ethenyl-3,5-dimethyl-1,2,4-triazole

4-ethenyl-3,5-dimethyl-1,2,4-triazole (PubChem CID 142939028) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-ethenyl-3,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name4-ethenyl-3,5-dimethyl-1,2,4-triazole
PubChem CID142939028
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4-ethenyl-3,5-dimethyl-1,2,4-triazole
SMILESC=Cn1c(C)nnc1C
InChIInChI=1S/C6H9N3/c1-4-9-5(2)7-8-6(9)3/h4H,1H2,2-3H3
InChIKeyXERLYXBAHYJXPI-UHFFFAOYSA-N
XLogP1.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethenyl-3,5-dimethyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
3,4,5-Trimethyl-4H-1,2,4-triazole
CID 573470
N-ethenyl-1-[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]ethanimine
CID 141951056
1-Ethenyl-3-methyl-1,2,4-triazole
CID 13739249
1-Ethenyl-5-methyl-1H-1,2,4-triazole
CID 13739250
4-Ethenyl-3-methyl-4H-1,2,4-triazole
CID 14545259
4-Ethyl-3,5-dimethyl-4H-1,2,4-triazole
CID 18686440
1,3,4,5-Tetramethyl-1,2,4-triazol-4-ium
CID 20652613
3,5-Dimethyl-4-propan-2-yl-1,2,4-triazole
CID 22950951
1,2,3,4,5-Pentamethyl-1,2,4-triazole-2,4-diium
CID 53783719
3,5-Dimethyl-4-propyl-1,2,4-triazole
CID 59288472
CID 59895910
CID 59895910

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3,5-dimethyl-1,2,4-triazole?
The IUPAC name of 4-ethenyl-3,5-dimethyl-1,2,4-triazole (CID 142939028) is 4-ethenyl-3,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 4-ethenyl-3,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 4-ethenyl-3,5-dimethyl-1,2,4-triazole is C=Cn1c(C)nnc1C.
What is the InChIKey of 4-ethenyl-3,5-dimethyl-1,2,4-triazole?
The InChIKey is XERLYXBAHYJXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-4-9-5(2)7-8-6(9)3/h4H,1H2,2-3H3.
What are the key properties of 4-ethenyl-3,5-dimethyl-1,2,4-triazole?
4-ethenyl-3,5-dimethyl-1,2,4-triazole has a molecular weight of 123.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 142939028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).