3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane

C9H15N3 — CID 145001584

IUPAC3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane
SMILESC=Cc1nnc(C)n1C=C.CC
InChIInChI=1S/C7H9N3.C2H6/c1-4-7-9-8-6(3)10(7)5-2;1-2/h4-5H,1-2H2,3H3;1-2H3
InChIKeyDZCNGQXQXDKQLI-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.36
Rot. Bonds2

About 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane

3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane (PubChem CID 145001584) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane
PubChem CID145001584
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane
SMILESC=Cc1nnc(C)n1C=C.CC
InChIInChI=1S/C7H9N3.C2H6/c1-4-7-9-8-6(3)10(7)5-2;1-2/h4-5H,1-2H2,3H3;1-2H3
InChIKeyDZCNGQXQXDKQLI-UHFFFAOYSA-N
XLogP2.36
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane 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
4-[(E)-2-bromoethenyl]-3-ethenyl-5-(trifluoromethyl)-1,2,4-triazole;ethane
CID 144130348
4-[(E)-2-bromoethenyl]-3-ethenyl-5-(trifluoromethyl)-1,2,4-triazole
CID 144130349
3-methyl-7H-pyrrolo[2,1-c][1,2,4]triazole
CID 20722811
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
3-tert-butyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 59825824
3,4,5-Tris(prop-2-enyl)-1,2,4-triazole
CID 67831923
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284
3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89233363
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane?
The IUPAC name of 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane (CID 145001584) is 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane.
What is the SMILES notation for 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane?
The canonical SMILES for 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane is C=Cc1nnc(C)n1C=C.CC.
What is the InChIKey of 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane?
The InChIKey is DZCNGQXQXDKQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c1-4-7-9-8-6(3)10(7)5-2;1-2/h4-5H,1-2H2,3H3;1-2H3.
What are the key properties of 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane?
3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane has a molecular weight of 165.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-5-methyl-1,2,4-triazole;ethane is sourced from PubChem (CID 145001584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).