4-methyl-3-pent-3-enyl-1,2,4-triazole

C8H13N3 — CID 69341903

IUPAC4-methyl-3-pent-3-enyl-1,2,4-triazole
SMILESCC=CCCc1nncn1C
InChIInChI=1S/C8H13N3/c1-3-4-5-6-8-10-9-7-11(8)2/h3-4,7H,5-6H2,1-2H3
InChIKeyGRVOGHNKNGGINU-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.32
Rot. Bonds3

About 4-methyl-3-pent-3-enyl-1,2,4-triazole

4-methyl-3-pent-3-enyl-1,2,4-triazole (PubChem CID 69341903) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-methyl-3-pent-3-enyl-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-pent-3-enyl-1,2,4-triazole
PubChem CID69341903
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-methyl-3-pent-3-enyl-1,2,4-triazole
SMILESCC=CCCc1nncn1C
InChIInChI=1S/C8H13N3/c1-3-4-5-6-8-10-9-7-11(8)2/h3-4,7H,5-6H2,1-2H3
InChIKeyGRVOGHNKNGGINU-UHFFFAOYSA-N
XLogP1.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.32
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 4-methyl-3-pent-3-enyl-1,2,4-triazole?
The IUPAC name of 4-methyl-3-pent-3-enyl-1,2,4-triazole (CID 69341903) is 4-methyl-3-pent-3-enyl-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-pent-3-enyl-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-pent-3-enyl-1,2,4-triazole is CC=CCCc1nncn1C.
What is the InChIKey of 4-methyl-3-pent-3-enyl-1,2,4-triazole?
The InChIKey is GRVOGHNKNGGINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-4-5-6-8-10-9-7-11(8)2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-methyl-3-pent-3-enyl-1,2,4-triazole?
4-methyl-3-pent-3-enyl-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pent-3-enyl-1,2,4-triazole is sourced from PubChem (CID 69341903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).