1-pent-3-en-2-yl-1,2,4-triazole

C7H11N3 — CID 123592496

IUPAC1-pent-3-en-2-yl-1,2,4-triazole
SMILESCC=CC(C)n1cncn1
InChIInChI=1S/C7H11N3/c1-3-4-7(2)10-6-8-5-9-10/h3-7H,1-2H3
InChIKeySNGQGBNNTYWLRI-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.42
Rot. Bonds2

About 1-pent-3-en-2-yl-1,2,4-triazole

1-pent-3-en-2-yl-1,2,4-triazole (PubChem CID 123592496) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-pent-3-en-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-pent-3-en-2-yl-1,2,4-triazole
PubChem CID123592496
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-pent-3-en-2-yl-1,2,4-triazole
SMILESCC=CC(C)n1cncn1
InChIInChI=1S/C7H11N3/c1-3-4-7(2)10-6-8-5-9-10/h3-7H,1-2H3
InChIKeySNGQGBNNTYWLRI-UHFFFAOYSA-N
XLogP1.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
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

1H-1,2,4-Triazole, 1-(2-propenyl)-
CID 572564
1-(But-3-en-1-yl)-1H-1,2,4-triazole
CID 11147711
1-[(E)-but-2-enyl]-1,2,4-triazole
CID 12591949
1-But-3-en-2-yltetrazole
CID 20272365
1-Deca-2,9-dienyl-1,2,4-triazole
CID 57203582
1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole
CID 58270149
1-(2-Methylbut-2-enyl)-1,2,4-triazole
CID 73166255
1-(2-Buten-1-yl)-1H-1,2,4-triazole
CID 78951339
1-(5-Methylhexa-1,5-dien-3-yl)-1,2,4-triazole
CID 91429396
1-Hepta-2,4-dien-3-yl-1,2,4-triazole
CID 123947835
1-[(2Z,4Z)-hepta-2,4-dienyl]-1,2,4-triazole
CID 126590348
1-Hex-2-enyl-1,2,4-triazole
CID 140996416

Frequently Asked Questions

What is the IUPAC name of 1-pent-3-en-2-yl-1,2,4-triazole?
The IUPAC name of 1-pent-3-en-2-yl-1,2,4-triazole (CID 123592496) is 1-pent-3-en-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-pent-3-en-2-yl-1,2,4-triazole?
The canonical SMILES for 1-pent-3-en-2-yl-1,2,4-triazole is CC=CC(C)n1cncn1.
What is the InChIKey of 1-pent-3-en-2-yl-1,2,4-triazole?
The InChIKey is SNGQGBNNTYWLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-4-7(2)10-6-8-5-9-10/h3-7H,1-2H3.
What are the key properties of 1-pent-3-en-2-yl-1,2,4-triazole?
1-pent-3-en-2-yl-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-en-2-yl-1,2,4-triazole is sourced from PubChem (CID 123592496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).