N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine

C19H17F3N6 — CID 112957617

IUPACN-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
SMILESFc1ccc(Nc2nncc(N3CCN(c4ccccc4F)CC3)n2)c(F)c1
InChIInChI=1S/C19H17F3N6/c20-13-5-6-16(15(22)11-13)24-19-25-18(12-23-26-19)28-9-7-27(8-10-28)17-4-2-1-3-14(17)21/h1-6,11-12H,7-10H2,(H,24,25,26)
InChIKeyCEEGDNKRAHBIGM-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.36
Rot. Bonds4

About N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine

N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine (PubChem CID 112957617) has the molecular formula C19H17F3N6 and a molecular weight of 386.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
PubChem CID112957617
Molecular FormulaC19H17F3N6
Molecular Weight386.38 g/mol
Exact Mass386.15
IUPAC NameN-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
SMILESFc1ccc(Nc2nncc(N3CCN(c4ccccc4F)CC3)n2)c(F)c1
InChIInChI=1S/C19H17F3N6/c20-13-5-6-16(15(22)11-13)24-19-25-18(12-23-26-19)28-9-7-27(8-10-28)17-4-2-1-3-14(17)21/h1-6,11-12H,7-10H2,(H,24,25,26)
InChIKeyCEEGDNKRAHBIGM-UHFFFAOYSA-N
XLogP3.36
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955512
N-(2,4-difluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112955660
N-(2,4-difluorophenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957261
N-(5-chloro-2-methylphenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957603
2-[[5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112957619
N-(4-chlorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957601
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112940908
N-(4-ethoxyphenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957610
1-[4-[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946921
3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969398
5-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)-1,2,4-triazin-3-amine
CID 112958097
2-[[5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112955662

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine (CID 112957617) is N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine is Fc1ccc(Nc2nncc(N3CCN(c4ccccc4F)CC3)n2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
The InChIKey is CEEGDNKRAHBIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6/c20-13-5-6-16(15(22)11-13)24-19-25-18(12-23-26-19)28-9-7-27(8-10-28)17-4-2-1-3-14(17)21/h1-6,11-12H,7-10H2,(H,24,25,26).
What are the key properties of N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine?
N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine has a molecular weight of 386.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 112957617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).