5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole

C8H13N3 — CID 163439948

IUPAC5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole
SMILESC/C=C(/C)c1nc(C)nn1C
InChIInChI=1S/C8H13N3/c1-5-6(2)8-9-7(3)10-11(8)4/h5H,1-4H3/b6-5-
InChIKeyAXRCWQKBJBPDOM-WAYWQWQTSA-N
MW151.21 g/mol
LogP1.55
Rot. Bonds1

About 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole

5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole (PubChem CID 163439948) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole
PubChem CID163439948
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole
SMILESC/C=C(/C)c1nc(C)nn1C
InChIInChI=1S/C8H13N3/c1-5-6(2)8-9-7(3)10-11(8)4/h5H,1-4H3/b6-5-
InChIKeyAXRCWQKBJBPDOM-WAYWQWQTSA-N
XLogP1.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-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-[(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)-1-methyl-3-prop-1-en-2-yl-1,2,4-triazole
CID 169840421
3-(3,5-Diethyl-1,2,4-triazol-1-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746426
5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10867177
3,6,7-trimethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 20650412
2,6,7-trimethyl-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 20650442
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
Chlorozinc(1+);1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162866
Lithium 1-methyl-5-phenyl-3-propyl-1,2,4-triazole
CID 58162940

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole?
The IUPAC name of 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole (CID 163439948) is 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole.
What is the SMILES notation for 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole?
The canonical SMILES for 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole is C/C=C(/C)c1nc(C)nn1C.
What is the InChIKey of 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole?
The InChIKey is AXRCWQKBJBPDOM-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-6(2)8-9-7(3)10-11(8)4/h5H,1-4H3/b6-5-.
What are the key properties of 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole?
5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-en-2-yl]-1,3-dimethyl-1,2,4-triazole is sourced from PubChem (CID 163439948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).