N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine

C18H25N5 — CID 112960381

IUPACN-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H25N5/c1-4-15-10-5-6-11-23(15)16-12-19-22-18(20-16)21-17-13(2)8-7-9-14(17)3/h7-9,12,15H,4-6,10-11H2,1-3H3,(H,20,21,22)
InChIKeyPQSTZPFMYUWKHP-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.00
Rot. Bonds4

About N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine

N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112960381) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112960381
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C18H25N5/c1-4-15-10-5-6-11-23(15)16-12-19-22-18(20-16)21-17-13(2)8-7-9-14(17)3/h7-9,12,15H,4-6,10-11H2,1-3H3,(H,20,21,22)
InChIKeyPQSTZPFMYUWKHP-UHFFFAOYSA-N
XLogP4.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960463
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
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960392
N-(2,4-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960459
N-(3,4-dimethoxyphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960419
N-(2,5-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960460
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
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925948

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112960381) is N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is CCC1CCCCN1c1cnnc(Nc2c(C)cccc2C)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is PQSTZPFMYUWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-4-15-10-5-6-11-23(15)16-12-19-22-18(20-16)21-17-13(2)8-7-9-14(17)3/h7-9,12,15H,4-6,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 311.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112960381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).