1-cyclohexyl-5-ethenyltriazole

C10H15N3 — CID 101486879

IUPAC1-cyclohexyl-5-ethenyltriazole
SMILESC=Cc1cnnn1C1CCCCC1
InChIInChI=1S/C10H15N3/c1-2-9-8-11-12-13(9)10-6-4-3-5-7-10/h2,8,10H,1,3-7H2
InChIKeyDDBMQBAPOVTCNY-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.43
Rot. Bonds2

About 1-cyclohexyl-5-ethenyltriazole

1-cyclohexyl-5-ethenyltriazole (PubChem CID 101486879) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-cyclohexyl-5-ethenyltriazole.

Molecular Properties

Compound Name1-cyclohexyl-5-ethenyltriazole
PubChem CID101486879
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-cyclohexyl-5-ethenyltriazole
SMILESC=Cc1cnnn1C1CCCCC1
InChIInChI=1S/C10H15N3/c1-2-9-8-11-12-13(9)10-6-4-3-5-7-10/h2,8,10H,1,3-7H2
InChIKeyDDBMQBAPOVTCNY-UHFFFAOYSA-N
XLogP2.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethenyl-1-octyltriazole
CID 101486880
1-Butyl-4-ethenyltriazole
CID 21679664
1-Butyl-5-ethenyltriazole
CID 21679665
1,5-Bis(ethenyl)triazole
CID 12506802
1-Decyl-4-ethenyl-3-methyltriazol-1-ium
CID 102131859
4-Ethenyl-1-hexyl-3-methyltriazol-1-ium
CID 102131860
5-Ethenyl-1-methyl-1h-1,2,3-triazole
CID 115011041
4-Ethenyl-1-propan-2-yltriazole
CID 117682123
1-Cyclohexyl-5-methyltriazole
CID 132221675
1-Cyclohexyl-5-ethyltriazole
CID 132228240
4-Ethenyl-1-ethyltriazole
CID 138502700
1,5-Bis(ethenyl)triazole;ethane
CID 145064562

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-ethenyltriazole?
The IUPAC name of 1-cyclohexyl-5-ethenyltriazole (CID 101486879) is 1-cyclohexyl-5-ethenyltriazole.
What is the SMILES notation for 1-cyclohexyl-5-ethenyltriazole?
The canonical SMILES for 1-cyclohexyl-5-ethenyltriazole is C=Cc1cnnn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-ethenyltriazole?
The InChIKey is DDBMQBAPOVTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-9-8-11-12-13(9)10-6-4-3-5-7-10/h2,8,10H,1,3-7H2.
What are the key properties of 1-cyclohexyl-5-ethenyltriazole?
1-cyclohexyl-5-ethenyltriazole has a molecular weight of 177.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-ethenyltriazole is sourced from PubChem (CID 101486879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).