1-(2-ethylbut-3-enyl)-1,2,4-triazole

C8H13N3 — CID 140994090

IUPAC1-(2-ethylbut-3-enyl)-1,2,4-triazole
SMILESC=CC(CC)Cn1cncn1
InChIInChI=1S/C8H13N3/c1-3-8(4-2)5-11-7-9-6-10-11/h3,6-8H,1,4-5H2,2H3
InChIKeyGIVIJERWYJKEHK-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.49
Rot. Bonds4

About 1-(2-ethylbut-3-enyl)-1,2,4-triazole

1-(2-ethylbut-3-enyl)-1,2,4-triazole (PubChem CID 140994090) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2-ethylbut-3-enyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-ethylbut-3-enyl)-1,2,4-triazole
PubChem CID140994090
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-(2-ethylbut-3-enyl)-1,2,4-triazole
SMILESC=CC(CC)Cn1cncn1
InChIInChI=1S/C8H13N3/c1-3-8(4-2)5-11-7-9-6-10-11/h3,6-8H,1,4-5H2,2H3
InChIKeyGIVIJERWYJKEHK-UHFFFAOYSA-N
XLogP1.49
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.49
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

1-(But-3-en-1-yl)-1H-1,2,4-triazole
CID 11147711
1-(2-Prop-2-enylhept-6-enyl)-1,2,4-triazole
CID 19745068
1-(3,3-Dimethyl-2-methylidenebutyl)-1,2,4-triazole
CID 19813964
1-[(1-Ethenylcyclohexa-2,4-dien-1-yl)methyl]-1,2,4-triazole
CID 19813965
1-(5-Methylhexa-1,5-dien-3-yl)-1,2,4-triazole
CID 91429396
Trimethyl-[5-(1,2,4-triazol-1-yl)pent-1-en-3-yl]silane
CID 140982525
1-Hex-2-enyl-1,2,4-triazole
CID 140996416
ethane;1-[(E)-2-ethenylbut-2-enyl]-1,2,4-triazole
CID 143148585
1-[(3Z,5E)-6-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]-1,2,4-triazole
CID 145528029
ethane;1-[(E)-2-ethenyl-2-ethyl-3-methylpent-3-enyl]-1,2,4-triazole
CID 145571403
4-Pent-4-enyl-1,2,4-triazole
CID 168886728
1-Pent-4-enyl-1,2,4-triazole
CID 19886504

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbut-3-enyl)-1,2,4-triazole?
The IUPAC name of 1-(2-ethylbut-3-enyl)-1,2,4-triazole (CID 140994090) is 1-(2-ethylbut-3-enyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-ethylbut-3-enyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-ethylbut-3-enyl)-1,2,4-triazole is C=CC(CC)Cn1cncn1.
What is the InChIKey of 1-(2-ethylbut-3-enyl)-1,2,4-triazole?
The InChIKey is GIVIJERWYJKEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-8(4-2)5-11-7-9-6-10-11/h3,6-8H,1,4-5H2,2H3.
What are the key properties of 1-(2-ethylbut-3-enyl)-1,2,4-triazole?
1-(2-ethylbut-3-enyl)-1,2,4-triazole has a molecular weight of 151.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbut-3-enyl)-1,2,4-triazole is sourced from PubChem (CID 140994090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).