2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine

C12H20N4 — CID 96658935

IUPAC2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1nncn1CCC1=CCCCC1
InChIInChI=1S/C12H20N4/c13-8-6-12-15-14-10-16(12)9-7-11-4-2-1-3-5-11/h4,10H,1-3,5-9,13H2
InChIKeySOCNNMAWYDXSPA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine

2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 96658935) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine
PubChem CID96658935
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine
SMILESNCCc1nncn1CCC1=CCCCC1
InChIInChI=1S/C12H20N4/c13-8-6-12-15-14-10-16(12)9-7-11-4-2-1-3-5-11/h4,10H,1-3,5-9,13H2
InChIKeySOCNNMAWYDXSPA-UHFFFAOYSA-N
XLogP1.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Cyclohexen-1-yl)ethyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 51083393
(13Z)-1,6,8,23,24-pentazabicyclo[20.3.0]pentacosa-13,22,24-trien-7-one
CID 118528249
N-[2-(cyclohexen-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-amine
CID 20873278
N-(cyclohex-3-en-1-ylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702877
2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 60975361
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332408
2-(cyclohexen-1-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 65602151
2-(cyclohexen-1-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 65607846
2-(cyclohexen-1-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 65608042
2-(cyclohexen-1-yl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 65608043
2-(cyclohexen-1-yl)-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 65608044

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine (CID 96658935) is 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine is NCCc1nncn1CCC1=CCCCC1.
What is the InChIKey of 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is SOCNNMAWYDXSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c13-8-6-12-15-14-10-16(12)9-7-11-4-2-1-3-5-11/h4,10H,1-3,5-9,13H2.
What are the key properties of 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine?
2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclohexen-1-yl)ethyl]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 96658935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).