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

C7H11N3 — CID 115011320

IUPAC5-ethenyl-1-propan-2-yl-1,2,4-triazole
SMILESC=Cc1ncnn1C(C)C
InChIInChI=1S/C7H11N3/c1-4-7-8-5-9-10(7)6(2)3/h4-6H,1H2,2-3H3
InChIKeyIUYLMCFOASJVIK-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.50
Rot. Bonds2

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

5-ethenyl-1-propan-2-yl-1,2,4-triazole (PubChem CID 115011320) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-ethenyl-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-1-propan-2-yl-1,2,4-triazole
PubChem CID115011320
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-ethenyl-1-propan-2-yl-1,2,4-triazole
SMILESC=Cc1ncnn1C(C)C
InChIInChI=1S/C7H11N3/c1-4-7-8-5-9-10(7)6(2)3/h4-6H,1H2,2-3H3
InChIKeyIUYLMCFOASJVIK-UHFFFAOYSA-N
XLogP1.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethenyl-1-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-isopropyl-3-methyl-1H-1,2,4-triazole
CID 20744898
5-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 171723580
1-(2-Fluoroprop-2-enyl)-5-methyl-1,2,4-triazole
CID 144028656
1-Ethyl-5-methyl-1,2,4-triazole
CID 12278548
3,5-Dimethyl-1-propan-2-yl-1,2,4-triazole
CID 15644394
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
5H-pyrrolo[2,1-c][1,2,4]triazole
CID 22630679
3-Ethenyl-1-sulfanyl-1,2,4-triazole
CID 23225434
5-Methyl-1-propyl-1,2,4-triazole
CID 54015825
1-isopropyl-5-methyl-1H-[1,2,4]triazole
CID 54051060
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-ethenyl-1-propan-2-yl-1,2,4-triazole (CID 115011320) is 5-ethenyl-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-1-propan-2-yl-1,2,4-triazole is C=Cc1ncnn1C(C)C.
What is the InChIKey of 5-ethenyl-1-propan-2-yl-1,2,4-triazole?
The InChIKey is IUYLMCFOASJVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-7-8-5-9-10(7)6(2)3/h4-6H,1H2,2-3H3.
What are the key properties of 5-ethenyl-1-propan-2-yl-1,2,4-triazole?
5-ethenyl-1-propan-2-yl-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 115011320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).