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

C8H13N3 — CID 171723346

IUPAC5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole
SMILESC=Cc1nc(C)nn1C(C)C
InChIInChI=1S/C8H13N3/c1-5-8-9-7(4)10-11(8)6(2)3/h5-6H,1H2,2-4H3
InChIKeyPSHXIHYFZDXEMM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.81
Rot. Bonds2

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

5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole (PubChem CID 171723346) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole
PubChem CID171723346
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole
SMILESC=Cc1nc(C)nn1C(C)C
InChIInChI=1S/C8H13N3/c1-5-8-9-7(4)10-11(8)6(2)3/h5-6H,1H2,2-4H3
InChIKeyPSHXIHYFZDXEMM-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethenyl-3-methyl-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

5-Ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
CID 141381952
5-(Difluoromethyl)-3-ethenyl-1-methyl-1,2,4-triazole
CID 169809302
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
3,5-Dimethyl-1-propan-2-yl-1,2,4-triazole
CID 15644394
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
1-Butan-2-yl-3,5-dimethyl-1,2,4-triazole
CID 58381615
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole (CID 171723346) is 5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole is C=Cc1nc(C)nn1C(C)C.
What is the InChIKey of 5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole?
The InChIKey is PSHXIHYFZDXEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-8-9-7(4)10-11(8)6(2)3/h5-6H,1H2,2-4H3.
What are the key properties of 5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole?
5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methyl-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 171723346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).