1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole

C7H11N3 — CID 13133627

IUPAC1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole
SMILESC/C=C(\C)Cn1cncn1
InChIInChI=1S/C7H11N3/c1-3-7(2)4-10-6-8-5-9-10/h3,5-6H,4H2,1-2H3/b7-3+
InChIKeyUPEFQUBKBZEOOT-XVNBXDOJSA-N
MW137.19 g/mol
LogP1.24
Rot. Bonds2

About 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole

1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole (PubChem CID 13133627) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole
PubChem CID13133627
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole
SMILESC/C=C(\C)Cn1cncn1
InChIInChI=1S/C7H11N3/c1-3-7(2)4-10-6-8-5-9-10/h3,5-6H,4H2,1-2H3/b7-3+
InChIKeyUPEFQUBKBZEOOT-XVNBXDOJSA-N
XLogP1.24
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 ≤ 51.24
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-Propyl-1H-1,2,4-triazole
CID 13568501
Bqrjeqicvjyagg-xnwczrbmsa-
CID 13133628
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-(2-Methylprop-2-enyl)-1,2,4-triazole
CID 13133624
1-(2-methylpropyl)-1H-1,2,4-triazole
CID 17862531
1-(3,3-Dimethyl-2-methylidenebutyl)-1,2,4-triazole
CID 19813964
1-(2,2-Dimethylpropyl)-1,2,4-triazole
CID 22954272
4-But-2-enyl-1,2,4-triazole
CID 54402800
1,4-Bis(prop-2-enyl)-1,2,4-triazol-4-ium
CID 66809833
1-(2-Methylbut-2-enyl)-1,2,4-triazole
CID 73166255

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole?
The IUPAC name of 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole (CID 13133627) is 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole is C/C=C(\C)Cn1cncn1.
What is the InChIKey of 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole?
The InChIKey is UPEFQUBKBZEOOT-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-7(2)4-10-6-8-5-9-10/h3,5-6H,4H2,1-2H3/b7-3+.
What are the key properties of 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole?
1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole has a molecular weight of 137.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methylbut-2-enyl]-1,2,4-triazole is sourced from PubChem (CID 13133627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).