1-pent-4-enyl-1,2,4-triazole

C7H11N3 — CID 19886504

IUPAC1-pent-4-enyl-1,2,4-triazole
SMILESC=CCCCn1cncn1
InChIInChI=1S/C7H11N3/c1-2-3-4-5-10-7-8-6-9-10/h2,6-7H,1,3-5H2
InChIKeyKCKFTGGHJCXASK-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.24
Rot. Bonds4

About 1-pent-4-enyl-1,2,4-triazole

1-pent-4-enyl-1,2,4-triazole (PubChem CID 19886504) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-pent-4-enyl-1,2,4-triazole.

Molecular Properties

Compound Name1-pent-4-enyl-1,2,4-triazole
PubChem CID19886504
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-pent-4-enyl-1,2,4-triazole
SMILESC=CCCCn1cncn1
InChIInChI=1S/C7H11N3/c1-2-3-4-5-10-7-8-6-9-10/h2,6-7H,1,3-5H2
InChIKeyKCKFTGGHJCXASK-UHFFFAOYSA-N
XLogP1.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-1,2,4-triazole?
The IUPAC name of 1-pent-4-enyl-1,2,4-triazole (CID 19886504) is 1-pent-4-enyl-1,2,4-triazole.
What is the SMILES notation for 1-pent-4-enyl-1,2,4-triazole?
The canonical SMILES for 1-pent-4-enyl-1,2,4-triazole is C=CCCCn1cncn1.
What is the InChIKey of 1-pent-4-enyl-1,2,4-triazole?
The InChIKey is KCKFTGGHJCXASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-4-5-10-7-8-6-9-10/h2,6-7H,1,3-5H2.
What are the key properties of 1-pent-4-enyl-1,2,4-triazole?
1-pent-4-enyl-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-1,2,4-triazole is sourced from PubChem (CID 19886504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).