1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine

C19H19F3N6 — CID 139297525

IUPAC1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine
SMILESCc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)c(F)c(N2CCNCC2)c1
InChIInChI=1S/C19H19F3N6/c1-12-6-16(18(22)17(7-12)27-4-2-23-3-5-27)25-19-24-11-28(26-19)15-9-13(20)8-14(21)10-15/h6-11,23H,2-5H2,1H3,(H,25,26)
InChIKeyILYRQIHDGPGQLX-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.15
Rot. Bonds4

About 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine

1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine (PubChem CID 139297525) has the molecular formula C19H19F3N6 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine
PubChem CID139297525
Molecular FormulaC19H19F3N6
Molecular Weight388.40 g/mol
Exact Mass388.16
IUPAC Name1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine
SMILESCc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)c(F)c(N2CCNCC2)c1
InChIInChI=1S/C19H19F3N6/c1-12-6-16(18(22)17(7-12)27-4-2-23-3-5-27)25-19-24-11-28(26-19)15-9-13(20)8-14(21)10-15/h6-11,23H,2-5H2,1H3,(H,25,26)
InChIKeyILYRQIHDGPGQLX-UHFFFAOYSA-N
XLogP3.15
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-N-[2-fluoro-5-methyl-3-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1,2,4-triazol-3-amine;molecular hydrogen
CID 157379943
N-[3-(2,2-difluoroethoxy)-5-methylphenyl]-1-(3,5-difluorophenyl)-1,2,4-triazol-3-amine
CID 134589532
1-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-2-fluorophenyl]ethanol
CID 134590165
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 134589684
3-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-1-N-(2-methoxyethyl)-5-methylbenzene-1,3-diamine
CID 142371440
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-3-N-[(2S)-3-methoxybutan-2-yl]-5-methylbenzene-1,3-diamine
CID 134606261
1-(3,5-difluorophenyl)-N-[4-methyl-3-(3-morpholin-4-ylazetidin-1-yl)phenyl]-1,2,4-triazol-3-amine
CID 134606156
ethyl 2-[4-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]piperazin-1-yl]acetate;molecular hydrogen
CID 158463819
N-[[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]methyl]acetamide
CID 134605746
3-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-5-methyl-1-N-[(1-morpholin-4-ylcyclopropyl)methyl]benzene-1,3-diamine;molecular hydrogen
CID 157395331
1-(3,5-difluorophenyl)-N-[3-methyl-5-[(1R,4R)-5-(oxetan-3-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-1,2,4-triazol-3-amine
CID 139297620
1-(3,5-difluorophenyl)-N-[3-methyl-5-[3-[(3S)-3-methylmorpholin-4-yl]azetidin-1-yl]phenyl]-1,2,4-triazol-3-amine;molecular hydrogen
CID 162118088

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine (CID 139297525) is 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine is Cc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)c(F)c(N2CCNCC2)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is ILYRQIHDGPGQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6/c1-12-6-16(18(22)17(7-12)27-4-2-23-3-5-27)25-19-24-11-28(26-19)15-9-13(20)8-14(21)10-15/h6-11,23H,2-5H2,1H3,(H,25,26).
What are the key properties of 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine?
1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine has a molecular weight of 388.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-(2-fluoro-5-methyl-3-piperazin-1-ylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 139297525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).