3,4-bis(prop-2-enyl)-1,2,4-triazole

C8H11N3 — CID 67685086

IUPAC3,4-bis(prop-2-enyl)-1,2,4-triazole
SMILESC=CCc1nncn1CC=C
InChIInChI=1S/C8H11N3/c1-3-5-8-10-9-7-11(8)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyMWOJFIDREMDCFU-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.19
Rot. Bonds4

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

3,4-bis(prop-2-enyl)-1,2,4-triazole (PubChem CID 67685086) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,4-bis(prop-2-enyl)-1,2,4-triazole.

Molecular Properties

Compound Name3,4-bis(prop-2-enyl)-1,2,4-triazole
PubChem CID67685086
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,4-bis(prop-2-enyl)-1,2,4-triazole
SMILESC=CCc1nncn1CC=C
InChIInChI=1S/C8H11N3/c1-3-5-8-10-9-7-11(8)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyMWOJFIDREMDCFU-UHFFFAOYSA-N
XLogP1.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.19
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-bis(prop-2-enyl)-1,2,4-triazole?
The IUPAC name of 3,4-bis(prop-2-enyl)-1,2,4-triazole (CID 67685086) is 3,4-bis(prop-2-enyl)-1,2,4-triazole.
What is the SMILES notation for 3,4-bis(prop-2-enyl)-1,2,4-triazole?
The canonical SMILES for 3,4-bis(prop-2-enyl)-1,2,4-triazole is C=CCc1nncn1CC=C.
What is the InChIKey of 3,4-bis(prop-2-enyl)-1,2,4-triazole?
The InChIKey is MWOJFIDREMDCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-5-8-10-9-7-11(8)6-4-2/h3-4,7H,1-2,5-6H2.
What are the key properties of 3,4-bis(prop-2-enyl)-1,2,4-triazole?
3,4-bis(prop-2-enyl)-1,2,4-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(prop-2-enyl)-1,2,4-triazole is sourced from PubChem (CID 67685086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).