5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole

C10H15N3 — CID 137413361

IUPAC5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole
SMILESC=Cc1c(C(C)C)nnn1/C=C\C
InChIInChI=1S/C10H15N3/c1-5-7-13-9(6-2)10(8(3)4)11-12-13/h5-8H,2H2,1,3-4H3/b7-5-
InChIKeyZJONAMVVEABXDY-ALCCZGGFSA-N
MW177.25 g/mol
LogP2.54
Rot. Bonds3

About 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole

5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole (PubChem CID 137413361) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole.

Molecular Properties

Compound Name5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole
PubChem CID137413361
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole
SMILESC=Cc1c(C(C)C)nnn1/C=C\C
InChIInChI=1S/C10H15N3/c1-5-7-13-9(6-2)10(8(3)4)11-12-13/h5-8H,2H2,1,3-4H3/b7-5-
InChIKeyZJONAMVVEABXDY-ALCCZGGFSA-N
XLogP2.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole?
The IUPAC name of 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole (CID 137413361) is 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole.
What is the SMILES notation for 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole?
The canonical SMILES for 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole is C=Cc1c(C(C)C)nnn1/C=C\C.
What is the InChIKey of 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole?
The InChIKey is ZJONAMVVEABXDY-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-7-13-9(6-2)10(8(3)4)11-12-13/h5-8H,2H2,1,3-4H3/b7-5-.
What are the key properties of 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole?
5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole has a molecular weight of 177.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-propan-2-yl-1-[(Z)-prop-1-enyl]triazole is sourced from PubChem (CID 137413361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).