3,4,5-tris(prop-2-enyl)-1,2,4-triazole

C11H15N3 — CID 67831923

IUPAC3,4,5-tris(prop-2-enyl)-1,2,4-triazole
SMILESC=CCc1nnc(CC=C)n1CC=C
InChIInChI=1S/C11H15N3/c1-4-7-10-12-13-11(8-5-2)14(10)9-6-3/h4-6H,1-3,7-9H2
InChIKeyKJXKGWHAVIVJMQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.92
Rot. Bonds6

About 3,4,5-tris(prop-2-enyl)-1,2,4-triazole

3,4,5-tris(prop-2-enyl)-1,2,4-triazole (PubChem CID 67831923) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3,4,5-tris(prop-2-enyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4,5-tris(prop-2-enyl)-1,2,4-triazole
PubChem CID67831923
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3,4,5-tris(prop-2-enyl)-1,2,4-triazole
SMILESC=CCc1nnc(CC=C)n1CC=C
InChIInChI=1S/C11H15N3/c1-4-7-10-12-13-11(8-5-2)14(10)9-6-3/h4-6H,1-3,7-9H2
InChIKeyKJXKGWHAVIVJMQ-UHFFFAOYSA-N
XLogP1.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(prop-2-enyl)-1,2,4-triazole?
The IUPAC name of 3,4,5-tris(prop-2-enyl)-1,2,4-triazole (CID 67831923) is 3,4,5-tris(prop-2-enyl)-1,2,4-triazole.
What is the SMILES notation for 3,4,5-tris(prop-2-enyl)-1,2,4-triazole?
The canonical SMILES for 3,4,5-tris(prop-2-enyl)-1,2,4-triazole is C=CCc1nnc(CC=C)n1CC=C.
What is the InChIKey of 3,4,5-tris(prop-2-enyl)-1,2,4-triazole?
The InChIKey is KJXKGWHAVIVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-4-7-10-12-13-11(8-5-2)14(10)9-6-3/h4-6H,1-3,7-9H2.
What are the key properties of 3,4,5-tris(prop-2-enyl)-1,2,4-triazole?
3,4,5-tris(prop-2-enyl)-1,2,4-triazole has a molecular weight of 189.26 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(prop-2-enyl)-1,2,4-triazole is sourced from PubChem (CID 67831923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).