5-pent-3-enyl-1H-1,2,4-triazole

C7H11N3 — CID 90974039

IUPAC5-pent-3-enyl-1H-1,2,4-triazole
SMILESCC=CCCc1ncn[nH]1
InChIInChI=1S/C7H11N3/c1-2-3-4-5-7-8-6-9-10-7/h2-3,6H,4-5H2,1H3,(H,8,9,10)
InChIKeyJOKHJANIPYCMID-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.31
Rot. Bonds3

About 5-pent-3-enyl-1H-1,2,4-triazole

5-pent-3-enyl-1H-1,2,4-triazole (PubChem CID 90974039) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-pent-3-enyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-pent-3-enyl-1H-1,2,4-triazole
PubChem CID90974039
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-pent-3-enyl-1H-1,2,4-triazole
SMILESCC=CCCc1ncn[nH]1
InChIInChI=1S/C7H11N3/c1-2-3-4-5-7-8-6-9-10-7/h2-3,6H,4-5H2,1H3,(H,8,9,10)
InChIKeyJOKHJANIPYCMID-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Allyl-1,2,4-triazole
CID 54043543
5-octadec-9-enyl-1H-1,2,4-triazole
CID 53678264
5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
1-(1H-1,2,4-triazol-5-yl)but-3-en-1-amine
CID 65363135
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
5-[(Z)-octadec-9-enyl]-1H-1,2,4-triazole
CID 67896261
4-Methyl-3-pent-3-enyl-1,2,4-triazole
CID 69341903
5-cyclohexa-2,4-dien-1-yl-1H-1,2,4-triazole
CID 69763244
3-(1H-1,2,4-triazol-5-yl)prop-1-en-1-amine
CID 70401315
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 87792768
5-(3,5-dimethyl-3H-pyrrol-2-yl)-1H-1,2,4-triazole
CID 89289009
5-but-3-enyl-1H-1,2,4-triazole
CID 90977684

Frequently Asked Questions

What is the IUPAC name of 5-pent-3-enyl-1H-1,2,4-triazole?
The IUPAC name of 5-pent-3-enyl-1H-1,2,4-triazole (CID 90974039) is 5-pent-3-enyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-pent-3-enyl-1H-1,2,4-triazole?
The canonical SMILES for 5-pent-3-enyl-1H-1,2,4-triazole is CC=CCCc1ncn[nH]1.
What is the InChIKey of 5-pent-3-enyl-1H-1,2,4-triazole?
The InChIKey is JOKHJANIPYCMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-3-4-5-7-8-6-9-10-7/h2-3,6H,4-5H2,1H3,(H,8,9,10).
What are the key properties of 5-pent-3-enyl-1H-1,2,4-triazole?
5-pent-3-enyl-1H-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pent-3-enyl-1H-1,2,4-triazole is sourced from PubChem (CID 90974039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).