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

C16H20ClN5 — CID 112960398

IUPACN-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN5/c1-2-14-5-3-4-10-22(14)15-11-18-21-16(20-15)19-13-8-6-12(17)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H,19,20,21)
InChIKeyUNBWFOVASXBEHH-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.04
Rot. Bonds4

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

N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112960398) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112960398
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC NameN-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H20ClN5/c1-2-14-5-3-4-10-22(14)15-11-18-21-16(20-15)19-13-8-6-12(17)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H,19,20,21)
InChIKeyUNBWFOVASXBEHH-UHFFFAOYSA-N
XLogP4.04
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-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-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402
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-(3,5-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960380
N-(3,4-dimethoxyphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960419
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960463
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960456
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960381
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960392
5-(2-ethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112960414
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943549

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112960398) is N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is CCC1CCCCN1c1cnnc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is UNBWFOVASXBEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-2-14-5-3-4-10-22(14)15-11-18-21-16(20-15)19-13-8-6-12(17)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H,19,20,21).
What are the key properties of N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 317.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112960398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).