4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine

C11H18N4 — CID 83262408

IUPAC4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine
SMILESCCn1ncnc1CC1=CCC(N)CC1
InChIInChI=1S/C11H18N4/c1-2-15-11(13-8-14-15)7-9-3-5-10(12)6-4-9/h3,8,10H,2,4-7,12H2,1H3
InChIKeyZIGLTUKGYTVGMT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.28
Rot. Bonds3

About 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine

4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine (PubChem CID 83262408) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine
PubChem CID83262408
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine
SMILESCCn1ncnc1CC1=CCC(N)CC1
InChIInChI=1S/C11H18N4/c1-2-15-11(13-8-14-15)7-9-3-5-10(12)6-4-9/h3,8,10H,2,4-7,12H2,1H3
InChIKeyZIGLTUKGYTVGMT-UHFFFAOYSA-N
XLogP1.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.28
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

3-chloro-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,6-tetrahydropyridine
CID 165459842
4-N-ethyl-4-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 79116068
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclobutan-1-amine
CID 112564080
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclopentan-1-amine
CID 112565739
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclohex-3-en-1-amine
CID 83261883
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
[4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81012981
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001
(3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 154897799
5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
CID 106780163

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine (CID 83262408) is 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine is CCn1ncnc1CC1=CCC(N)CC1.
What is the InChIKey of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine?
The InChIKey is ZIGLTUKGYTVGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-15-11(13-8-14-15)7-9-3-5-10(12)6-4-9/h3,8,10H,2,4-7,12H2,1H3.
What are the key properties of 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine?
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine has a molecular weight of 206.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 83262408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).