5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole

C8H13N3 — CID 144550342

IUPAC5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCCc1ncnn1C=C(C)C
InChIInChI=1S/C8H13N3/c1-4-8-9-6-10-11(8)5-7(2)3/h5-6H,4H2,1-3H3
InChIKeyWHCUGLGSXYROHI-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.72
Rot. Bonds2

About 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole

5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole (PubChem CID 144550342) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
PubChem CID144550342
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
SMILESCCc1ncnn1C=C(C)C
InChIInChI=1S/C8H13N3/c1-4-8-9-6-10-11(8)5-7(2)3/h5-6H,4H2,1-3H3
InChIKeyWHCUGLGSXYROHI-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-1-(2-methylprop-1-enyl)-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

5-isopropyl-1-methyl-1H-1,2,4-triazole
CID 15496056
1-(2-Methylprop-2-enyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 130978156
3-(Difluoromethyl)-1-(2-methylprop-2-enyl)-1,2,4-triazole
CID 131131699
(E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine
CID 153028499
1-(Difluoromethyl)-3-(2-methylprop-2-enyl)-1,2,4-triazole
CID 178009620
1-Ethyl-5-propan-2-yl-1,2,4-triazole
CID 15496065
5-Ethyl-1-methyl-1,2,4-triazole
CID 18338549
1,5-Diethyl-1,2,4-triazole
CID 21363517
1-Methyl-3-prop-2-enyl-1,2,4-triazole
CID 53833144
3-Ethyl-1-methyl-1,2,4-triazole
CID 54190833
1,3-Diethyl-1,2,4-triazole
CID 57111660
1-Methyl-3-propan-2-yl-1,2,4-triazole
CID 57617551

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
The IUPAC name of 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole (CID 144550342) is 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole.
What is the SMILES notation for 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
The canonical SMILES for 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole is CCc1ncnn1C=C(C)C.
What is the InChIKey of 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
The InChIKey is WHCUGLGSXYROHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-4-8-9-6-10-11(8)5-7(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole?
5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methylprop-1-enyl)-1,2,4-triazole is sourced from PubChem (CID 144550342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).