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

C20H29N5 — CID 112960392

IUPACN-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H29N5/c1-5-15-10-8-9-13-25(15)18-14-21-24-19(23-18)22-17-12-7-6-11-16(17)20(2,3)4/h6-7,11-12,14-15H,5,8-10,13H2,1-4H3,(H,22,23,24)
InChIKeyAHPHNXWELKYKOO-UHFFFAOYSA-N
MW339.49 g/mol
LogP4.68
Rot. Bonds4

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

N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112960392) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112960392
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C20H29N5/c1-5-15-10-8-9-13-25(15)18-14-21-24-19(23-18)22-17-12-7-6-11-16(17)20(2,3)4/h6-7,11-12,14-15H,5,8-10,13H2,1-4H3,(H,22,23,24)
InChIKeyAHPHNXWELKYKOO-UHFFFAOYSA-N
XLogP4.68
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 54.68
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-[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-(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-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
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
5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953534
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402
N-(3,4-dimethoxyphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960419

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine (CID 112960392) is N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is CCC1CCCCN1c1cnnc(Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is AHPHNXWELKYKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-5-15-10-8-9-13-25(15)18-14-21-24-19(23-18)22-17-12-7-6-11-16(17)20(2,3)4/h6-7,11-12,14-15H,5,8-10,13H2,1-4H3,(H,22,23,24).
What are the key properties of N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine?
N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 339.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112960392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).