N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine

C16H19Cl2N5 — CID 112960463

IUPACN-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H19Cl2N5/c1-2-11-6-3-4-9-23(11)14-10-19-22-16(21-14)20-13-8-5-7-12(17)15(13)18/h5,7-8,10-11H,2-4,6,9H2,1H3,(H,20,21,22)
InChIKeyDBYKSLNCALWODI-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.69
Rot. Bonds4

About N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine

N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112960463) has the molecular formula C16H19Cl2N5 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112960463
Molecular FormulaC16H19Cl2N5
Molecular Weight352.27 g/mol
Exact Mass351.10
IUPAC NameN-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H19Cl2N5/c1-2-11-6-3-4-9-23(11)14-10-19-22-16(21-14)20-13-8-5-7-12(17)15(13)18/h5,7-8,10-11H,2-4,6,9H2,1H3,(H,20,21,22)
InChIKeyDBYKSLNCALWODI-UHFFFAOYSA-N
XLogP4.69
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-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

N-(2,4-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960459
N-(2,5-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960460
N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960392
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960381
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960456
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
N-(3,5-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960380
5-(2-ethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112960414
N-(3,4-dimethoxyphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960419
N-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941149

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112960463) is N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is CCC1CCCCN1c1cnnc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is DBYKSLNCALWODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5/c1-2-11-6-3-4-9-23(11)14-10-19-22-16(21-14)20-13-8-5-7-12(17)15(13)18/h5,7-8,10-11H,2-4,6,9H2,1H3,(H,20,21,22).
What are the key properties of N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 352.27 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112960463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).