5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine

C14H24N4 — CID 171134455

IUPAC5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESCCn1nc(C=CC2CCCCC2)nc1N(C)C
InChIInChI=1S/C14H24N4/c1-4-18-14(17(2)3)15-13(16-18)11-10-12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyBDVFWXXNZIMJCC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.96
Rot. Bonds4

About 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine

5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine (PubChem CID 171134455) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
PubChem CID171134455
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESCCn1nc(C=CC2CCCCC2)nc1N(C)C
InChIInChI=1S/C14H24N4/c1-4-18-14(17(2)3)15-13(16-18)11-10-12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3
InChIKeyBDVFWXXNZIMJCC-UHFFFAOYSA-N
XLogP2.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-2-(4-fluorocyclohexyl)ethenyl]-4,5-dimethyl-1,2,4-triazole
CID 142140858
4-{3-[(E)-2-cyclohexylvinyl]-1-methyl-1H-1,2,4-triazol-5-yl}morpholine
CID 72839070
3-heptan-4-yl-4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,2,4-triazole
CID 130374412
5-ethenyl-1-[(E)-2-ethenyl-3-propylhex-1-enyl]-3-methyl-1,2,4-triazole
CID 170231402
4-[5-(2-Cyclohexylethenyl)-2-methyl-1,2,4-triazol-3-yl]morpholine
CID 91939957
4-(5-Cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclopent-2-en-1-amine
CID 115277811
3-[(E)-2-cyclohexylvinyl]-1-ethyl-N,N-dimethyl-1H-1,2,4-triazol-5-amine
CID 121494617
1-{3-[(E)-2-cyclohexylvinyl]-1-methyl-1H-1,2,4-triazol-5-yl}piperidine
CID 121497083
1-[5-(2-Cyclohexylethenyl)-2-methyl-1,2,4-triazol-3-yl]piperidine
CID 171134562

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine (CID 171134455) is 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine is CCn1nc(C=CC2CCCCC2)nc1N(C)C.
What is the InChIKey of 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is BDVFWXXNZIMJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-18-14(17(2)3)15-13(16-18)11-10-12-8-6-5-7-9-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine?
5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethenyl)-2-ethyl-N,N-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 171134455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).