5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole

C8H13N3 — CID 171723414

IUPAC5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole
SMILESC=Cc1nc(C(C)C)nn1C
InChIInChI=1S/C8H13N3/c1-5-7-9-8(6(2)3)10-11(7)4/h5-6H,1H2,2-4H3
InChIKeyCNAHRRYWUVTZHH-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.58
Rot. Bonds2

About 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole

5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole (PubChem CID 171723414) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole
PubChem CID171723414
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole
SMILESC=Cc1nc(C(C)C)nn1C
InChIInChI=1S/C8H13N3/c1-5-7-9-8(6(2)3)10-11(7)4/h5-6H,1H2,2-4H3
InChIKeyCNAHRRYWUVTZHH-UHFFFAOYSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethenyl-1-methyl-3-propan-2-yl-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

1,3-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 18338551
5-[(Z)-but-2-en-2-yl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134469053
(2Z)-4-fluoro-N-methyl-1-(5-propan-2-yl-1,2,4-triazol-1-yl)penta-2,4-dien-1-imine
CID 156790868
5-(Difluoromethyl)-3-ethenyl-1-methyl-1,2,4-triazole
CID 169809302
5-(Difluoromethyl)-1-methyl-3-prop-1-en-2-yl-1,2,4-triazole
CID 169840421
5-Ethenyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 171542259
5-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 171723580
3-(Fluoromethyl)-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 176763673
3-Cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 18989691
2,6,7-trimethyl-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 20650442
3-Ethyl-1,5-dimethyl-1,2,4-triazole
CID 20791697
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole (CID 171723414) is 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole is C=Cc1nc(C(C)C)nn1C.
What is the InChIKey of 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole?
The InChIKey is CNAHRRYWUVTZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-7-9-8(6(2)3)10-11(7)4/h5-6H,1H2,2-4H3.
What are the key properties of 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole?
5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-methyl-3-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 171723414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).