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

C20H20F2N6 — CID 112957323

IUPACN-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCc1cccc(N2CCN(c3nncc(Nc4ccc(F)cc4F)n3)CC2)c1
InChIInChI=1S/C20H20F2N6/c1-14-3-2-4-16(11-14)27-7-9-28(10-8-27)20-25-19(13-23-26-20)24-18-6-5-15(21)12-17(18)22/h2-6,11-13H,7-10H2,1H3,(H,24,25,26)
InChIKeyGQIDMPQBIJUVND-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.53
Rot. Bonds4

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

N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (PubChem CID 112957323) has the molecular formula C20H20F2N6 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
PubChem CID112957323
Molecular FormulaC20H20F2N6
Molecular Weight382.42 g/mol
Exact Mass382.17
IUPAC NameN-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
SMILESCc1cccc(N2CCN(c3nncc(Nc4ccc(F)cc4F)n3)CC2)c1
InChIInChI=1S/C20H20F2N6/c1-14-3-2-4-16(11-14)27-7-9-28(10-8-27)20-25-19(13-23-26-20)24-18-6-5-15(21)12-17(18)22/h2-6,11-13H,7-10H2,1H3,(H,24,25,26)
InChIKeyGQIDMPQBIJUVND-UHFFFAOYSA-N
XLogP3.53
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine
CID 112957301
N-(2,4-difluorophenyl)-5-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957261
3-[4-(3-methylphenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112957281
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-5-amine
CID 112938752
N-(2,5-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112955547
N-(4-fluorophenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923504
3-(4-benzylpiperidin-1-yl)-N-(2,4-difluorophenyl)-1,2,4-triazin-5-amine
CID 112960353
5-[4-(3-methylphenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945994
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-phenyl-1,2,4-triazin-5-amine
CID 112955680
N-(3-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942079
N-(2,3-dimethylphenyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923499
5-N-(2,4-difluorophenyl)-3-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112968928

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The IUPAC name of N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine (CID 112957323) is N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is Cc1cccc(N2CCN(c3nncc(Nc4ccc(F)cc4F)n3)CC2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
The InChIKey is GQIDMPQBIJUVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6/c1-14-3-2-4-16(11-14)27-7-9-28(10-8-27)20-25-19(13-23-26-20)24-18-6-5-15(21)12-17(18)22/h2-6,11-13H,7-10H2,1H3,(H,24,25,26).
What are the key properties of N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine?
N-(2,4-difluorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine has a molecular weight of 382.42 g/mol, XLogP of 3.53, 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)-3-[4-(3-methylphenyl)piperazin-1-yl]-1,2,4-triazin-5-amine is sourced from PubChem (CID 112957323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).