1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine

C8H12N4 — CID 130775606

IUPAC1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CC=CCC2)n1
InChIInChI=1S/C8H12N4/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H2,9,11)
InChIKeyHJVFXQOWFMVBEX-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.14
Rot. Bonds1

About 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine

1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine (PubChem CID 130775606) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine
PubChem CID130775606
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CC=CCC2)n1
InChIInChI=1S/C8H12N4/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H2,9,11)
InChIKeyHJVFXQOWFMVBEX-UHFFFAOYSA-N
XLogP1.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-(2-cyclohexenyl)-tetrazole
CID 86014035
1-Octadec-9-enyl-1,2,4-triazol-3-amine
CID 54321709
1-[(E)-heptadec-8-enyl]-1,2,4-triazol-3-amine
CID 67240734
1-Heptadec-8-enyl-1,2,4-triazol-3-amine
CID 67240735
1-[(Z)-octadec-9-enyl]-1,2,4-triazol-3-amine
CID 68792849
(1S,4R)-4-(1,2,4-triazol-1-ylmethyl)cyclopent-2-en-1-amine
CID 68830180
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine;hydrochloride
CID 117763561
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine
CID 117763562
1-(3-Azidocyclohexen-1-yl)-1,2,4-triazole
CID 121317476
(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine
CID 143922029
4-Cyclohex-3-en-1-yl-1,2,4-triazole;ethane
CID 145406355
1-Cyclohex-2-en-1-yl-1,2,4-triazole
CID 13491239

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine?
The IUPAC name of 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine (CID 130775606) is 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine is Nc1ncn(C2CC=CCC2)n1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine?
The InChIKey is HJVFXQOWFMVBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-8-10-6-12(11-8)7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H2,9,11).
What are the key properties of 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine?
1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine has a molecular weight of 164.21 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 130775606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).