N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine

C17H19FN4 — CID 42286044

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NCCC3=CCCCC3)n2)c1
InChIInChI=1S/C17H19FN4/c18-15-8-4-7-14(11-15)16-12-20-22-17(21-16)19-10-9-13-5-2-1-3-6-13/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,19,21,22)
InChIKeySPKXCDIXIVJVSU-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.98
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine

N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 42286044) has the molecular formula C17H19FN4 and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID42286044
Molecular FormulaC17H19FN4
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine
SMILESFc1cccc(-c2cnnc(NCCC3=CCCCC3)n2)c1
InChIInChI=1S/C17H19FN4/c18-15-8-4-7-14(11-15)16-12-20-22-17(21-16)19-10-9-13-5-2-1-3-6-13/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,19,21,22)
InChIKeySPKXCDIXIVJVSU-UHFFFAOYSA-N
XLogP3.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Methylthio)-5-phenyl-1,2,4-triazine
CID 98541
4-phenyl-N~1~-[(1E)-phenylmethylene]-1H-imidazole-1,2-diamine
CID 6858937
5-Phenyl-1,2,4-triazin-3-amine
CID 97081
6-Phenyl-1,2,4-triazin-3-amine
CID 120468
6-(4-Fluorophenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 618001
2,6-Diphenylimidazo[1,2-b][1,2,4]triazine
CID 623378
5-(4-Bromophenyl)-1,2,4-triazin-3-amine
CID 7176091
N-cyclohexyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404647
5-Phenyl-3-(piperidin-1-yl)-1,2,4-triazine
CID 6400923
N-benzyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404644
3,6-Diphenyl-1,2,4-triazine
CID 6617829
1-[(E)-(4-fluorophenyl)methylideneamino]-4-phenylimidazol-2-amine
CID 21949750

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine (CID 42286044) is N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine is Fc1cccc(-c2cnnc(NCCC3=CCCCC3)n2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is SPKXCDIXIVJVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c18-15-8-4-7-14(11-15)16-12-20-22-17(21-16)19-10-9-13-5-2-1-3-6-13/h4-5,7-8,11-12H,1-3,6,9-10H2,(H,19,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine?
N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 298.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-(3-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42286044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).