4-ethenyl-1-ethyltriazole

C6H9N3 — CID 138502700

IUPAC4-ethenyl-1-ethyltriazole
SMILESC=Cc1cn(CC)nn1
InChIInChI=1S/C6H9N3/c1-3-6-5-9(4-2)8-7-6/h3,5H,1,4H2,2H3
InChIKeySRESWCIEOULMMA-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.94
Rot. Bonds2

About 4-ethenyl-1-ethyltriazole

4-ethenyl-1-ethyltriazole (PubChem CID 138502700) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 4-ethenyl-1-ethyltriazole.

Molecular Properties

Compound Name4-ethenyl-1-ethyltriazole
PubChem CID138502700
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name4-ethenyl-1-ethyltriazole
SMILESC=Cc1cn(CC)nn1
InChIInChI=1S/C6H9N3/c1-3-6-5-9(4-2)8-7-6/h3,5H,1,4H2,2H3
InChIKeySRESWCIEOULMMA-UHFFFAOYSA-N
XLogP0.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
4-Methyl-1-prop-2-enyltriazole
CID 13553893
1,4-Dimethyl-1H-1,2,3-triazole
CID 15257142
1,4-Diethyltriazole
CID 19779068
4-Ethyl-1-methyltriazole
CID 59050128
4-Tert-butyl-1-prop-2-enyltriazole
CID 85961759
1-(2-Fluoroethyl)-4-methyltriazole
CID 58251824
4-(Fluoromethyl)-1-propan-2-yltriazole
CID 58384196
4-(Fluoromethyl)-1-propyltriazole
CID 68218977
1-(3-Fluoropropyl)-4-methyltriazole
CID 68256605
1-(4-Fluorobutyl)-4-methyltriazole
CID 68256606
1-Ethyl-4-(fluoromethyl)triazole
CID 90455682

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-ethyltriazole?
The IUPAC name of 4-ethenyl-1-ethyltriazole (CID 138502700) is 4-ethenyl-1-ethyltriazole.
What is the SMILES notation for 4-ethenyl-1-ethyltriazole?
The canonical SMILES for 4-ethenyl-1-ethyltriazole is C=Cc1cn(CC)nn1.
What is the InChIKey of 4-ethenyl-1-ethyltriazole?
The InChIKey is SRESWCIEOULMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-6-5-9(4-2)8-7-6/h3,5H,1,4H2,2H3.
What are the key properties of 4-ethenyl-1-ethyltriazole?
4-ethenyl-1-ethyltriazole has a molecular weight of 123.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-ethyltriazole is sourced from PubChem (CID 138502700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).