3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine

C21H21F2N5 — CID 112960353

IUPAC3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2cnnc(N3CCC(Cc4ccccc4)CC3)n2)c(F)c1
InChIInChI=1S/C21H21F2N5/c22-17-6-7-19(18(23)13-17)25-20-14-24-27-21(26-20)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,25,26,27)
InChIKeyUCNYEFGKTLHNSO-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.35
Rot. Bonds5

About 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine

3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine (PubChem CID 112960353) has the molecular formula C21H21F2N5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine
PubChem CID112960353
Molecular FormulaC21H21F2N5
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine
SMILESFc1ccc(Nc2cnnc(N3CCC(Cc4ccccc4)CC3)n2)c(F)c1
InChIInChI=1S/C21H21F2N5/c22-17-6-7-19(18(23)13-17)25-20-14-24-27-21(26-20)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,25,26,27)
InChIKeyUCNYEFGKTLHNSO-UHFFFAOYSA-N
XLogP4.35
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)-1,2,4-triazin-5-amine
CID 112960327
3-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 112960343
N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957323
3-(4-benzylpiperidin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112959555
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)-6-methylpyrimidin-4-amine
CID 112925852
N-(2-fluorophenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298452
6-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-5-nitropyrimidin-4-amine
CID 23491479
5-(4-benzylpiperidin-1-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112946013
2-(4-benzylpiperidin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-4-amine
CID 112900822
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112955680
N-benzyl-2-(4-benzylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112915514
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957650

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine (CID 112960353) is 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine is Fc1ccc(Nc2cnnc(N3CCC(Cc4ccccc4)CC3)n2)c(F)c1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine?
The InChIKey is UCNYEFGKTLHNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5/c22-17-6-7-19(18(23)13-17)25-20-14-24-27-21(26-20)28-10-8-16(9-11-28)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2,(H,25,26,27).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine?
3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine has a molecular weight of 381.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112960353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).