1-prop-2-enyl-4-propyltriazole

C8H13N3 — CID 134857990

IUPAC1-prop-2-enyl-4-propyltriazole
SMILESC=CCn1cc(CCC)nn1
InChIInChI=1S/C8H13N3/c1-3-5-8-7-11(6-4-2)10-9-8/h4,7H,2-3,5-6H2,1H3
InChIKeyZHZQDHZWNSWZDE-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.42
Rot. Bonds4

About 1-prop-2-enyl-4-propyltriazole

1-prop-2-enyl-4-propyltriazole (PubChem CID 134857990) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-prop-2-enyl-4-propyltriazole.

Molecular Properties

Compound Name1-prop-2-enyl-4-propyltriazole
PubChem CID134857990
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-prop-2-enyl-4-propyltriazole
SMILESC=CCn1cc(CCC)nn1
InChIInChI=1S/C8H13N3/c1-3-5-8-7-11(6-4-2)10-9-8/h4,7H,2-3,5-6H2,1H3
InChIKeyZHZQDHZWNSWZDE-UHFFFAOYSA-N
XLogP1.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-pentyl-1-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 145985152
8-(4-Butyltriazol-1-yl)octylimino-ethenyl-oxidoazanium
CID 152122653
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-pentyltriazole
CID 145979402
1-(3-Methylbut-2-enyl)-4-pentyltriazole
CID 145979958
4-propyl-1-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 145980431
4-pentyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 145981409
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-pentyltriazole
CID 145981933
4-propyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 145986597
4-octyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 145987203
1-(3-Methylbut-2-enyl)-4-propyltriazole
CID 145988656
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-propyltriazole
CID 145988905
1-(3-Methylbut-2-enyl)-4-octyltriazole
CID 145988988

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-propyltriazole?
The IUPAC name of 1-prop-2-enyl-4-propyltriazole (CID 134857990) is 1-prop-2-enyl-4-propyltriazole.
What is the SMILES notation for 1-prop-2-enyl-4-propyltriazole?
The canonical SMILES for 1-prop-2-enyl-4-propyltriazole is C=CCn1cc(CCC)nn1.
What is the InChIKey of 1-prop-2-enyl-4-propyltriazole?
The InChIKey is ZHZQDHZWNSWZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-5-8-7-11(6-4-2)10-9-8/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-prop-2-enyl-4-propyltriazole?
1-prop-2-enyl-4-propyltriazole has a molecular weight of 151.21 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-propyltriazole is sourced from PubChem (CID 134857990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).