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

C19H18F2N6 — CID 112955512

IUPACN-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESFc1ccc(Nc2nncc(N3CCN(c4ccccc4)CC3)n2)c(F)c1
InChIInChI=1S/C19H18F2N6/c20-14-6-7-17(16(21)12-14)23-19-24-18(13-22-25-19)27-10-8-26(9-11-27)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,23,24,25)
InChIKeyRHAMKWLTQZGERO-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.22
Rot. Bonds4

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

N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine (PubChem CID 112955512) has the molecular formula C19H18F2N6 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
PubChem CID112955512
Molecular FormulaC19H18F2N6
Molecular Weight368.39 g/mol
Exact Mass368.16
IUPAC NameN-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
SMILESFc1ccc(Nc2nncc(N3CCN(c4ccccc4)CC3)n2)c(F)c1
InChIInChI=1S/C19H18F2N6/c20-14-6-7-17(16(21)12-14)23-19-24-18(13-22-25-19)27-10-8-26(9-11-27)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,23,24,25)
InChIKeyRHAMKWLTQZGERO-UHFFFAOYSA-N
XLogP3.22
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,4-difluorophenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957617
N-(2-ethylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955465
2-[[5-[4-(4-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112955662
2-[[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]benzonitrile
CID 112955514
3-N-(2,4-difluorophenyl)-5-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112968914
5-methyl-N-[5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-yl]-1,2-oxazol-3-amine
CID 112955521
5-N-(2,4-difluorophenyl)-3-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112968928
1-[4-[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]piperazin-1-yl]ethanone
CID 112946921
N-(4-tert-butylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955475
3-N,5-N-bis(2,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969398

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine (CID 112955512) is N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine is Fc1ccc(Nc2nncc(N3CCN(c4ccccc4)CC3)n2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
The InChIKey is RHAMKWLTQZGERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6/c20-14-6-7-17(16(21)12-14)23-19-24-18(13-22-25-19)27-10-8-26(9-11-27)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,23,24,25).
What are the key properties of N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine?
N-(2,4-difluorophenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine has a molecular weight of 368.39 g/mol, XLogP of 3.22, 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-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112955512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).