5-ethenyl-1-propan-2-yltriazole

C7H11N3 — CID 115011319

IUPAC5-ethenyl-1-propan-2-yltriazole
SMILESC=Cc1cnnn1C(C)C
InChIInChI=1S/C7H11N3/c1-4-7-5-8-9-10(7)6(2)3/h4-6H,1H2,2-3H3
InChIKeyODGKLSWQQFPQDY-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.50
Rot. Bonds2

About 5-ethenyl-1-propan-2-yltriazole

5-ethenyl-1-propan-2-yltriazole (PubChem CID 115011319) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 5-ethenyl-1-propan-2-yltriazole.

Molecular Properties

Compound Name5-ethenyl-1-propan-2-yltriazole
PubChem CID115011319
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name5-ethenyl-1-propan-2-yltriazole
SMILESC=Cc1cnnn1C(C)C
InChIInChI=1S/C7H11N3/c1-4-7-5-8-9-10(7)6(2)3/h4-6H,1H2,2-3H3
InChIKeyODGKLSWQQFPQDY-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-1-prop-2-enyltriazole
CID 13553893
1-Cyclohexyl-5-ethenyltriazole
CID 101486879
5-Ethenyl-1-octyltriazole
CID 101486880
2-(5-Ethenyltriazol-1-yl)ethanol
CID 101486882
1-((E)-3,3-Dimethyl-but-1-enyl)-5-methyl-1H-[1,2,3]triazole
CID 21819903
1-Butyl-4-ethenyltriazole
CID 21679664
1-Butyl-5-ethenyltriazole
CID 21679665
1,5-Bis(ethenyl)triazole
CID 12506802
5-Ethenyl-1-(ethoxymethyl)triazole
CID 22616280
4-ethenyl-1-methyl-1H-1,2,3-triazole
CID 54142688
5-Methyl-1-propan-2-yltriazole
CID 57832745
1-Ethyl-5-methyltriazole
CID 66792062

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-propan-2-yltriazole?
The IUPAC name of 5-ethenyl-1-propan-2-yltriazole (CID 115011319) is 5-ethenyl-1-propan-2-yltriazole.
What is the SMILES notation for 5-ethenyl-1-propan-2-yltriazole?
The canonical SMILES for 5-ethenyl-1-propan-2-yltriazole is C=Cc1cnnn1C(C)C.
What is the InChIKey of 5-ethenyl-1-propan-2-yltriazole?
The InChIKey is ODGKLSWQQFPQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-4-7-5-8-9-10(7)6(2)3/h4-6H,1H2,2-3H3.
What are the key properties of 5-ethenyl-1-propan-2-yltriazole?
5-ethenyl-1-propan-2-yltriazole has a molecular weight of 137.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-propan-2-yltriazole is sourced from PubChem (CID 115011319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).