N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine

C21H15ClFN5 — CID 146048304

IUPACN-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCc1ccc(-c2nnc(-c3ccccn3)nc2Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C21H15ClFN5/c1-13-5-7-14(8-6-13)19-21(25-15-9-10-17(23)16(22)12-15)26-20(28-27-19)18-4-2-3-11-24-18/h2-12H,1H3,(H,25,26,28)
InChIKeyYEAXTLSGCDHDQT-UHFFFAOYSA-N
MW391.84 g/mol
LogP5.45
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 146048304) has the molecular formula C21H15ClFN5 and a molecular weight of 391.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID146048304
Molecular FormulaC21H15ClFN5
Molecular Weight391.84 g/mol
Exact Mass391.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCc1ccc(-c2nnc(-c3ccccn3)nc2Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C21H15ClFN5/c1-13-5-7-14(8-6-13)19-21(25-15-9-10-17(23)16(22)12-15)26-20(28-27-19)18-4-2-3-11-24-18/h2-12H,1H3,(H,25,26,28)
InChIKeyYEAXTLSGCDHDQT-UHFFFAOYSA-N
XLogP5.45
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-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

Imaradenant
CID 86676119
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Pyrazine-Pyridine Biheteroaryl 57
CID 5330391
Pyrazine-Pyridine Biheteroaryl 58
CID 5330392
N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
CID 6326418
N-cyclohexyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404647
Pyrazine-Pyridine Biheteroaryl 59
CID 5330384
N-benzyl-6-phenyl-3-(2-pyridinyl)-1,2,4-triazin-5-amine
CID 6404644
5,6-Diphenyl-3-pyridin-4-yl-1,2,4-triazine
CID 6409328
5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 11440253
(3-Chloro-4-fluoro-phenyl)-(1,3,8a,9-tetraaza-fluoren-4-yl)-amine
CID 11681189
5-((4-aminopiperidin-1-yl)methyl)-N-(3-chlorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 21874200

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 146048304) is N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine is Cc1ccc(-c2nnc(-c3ccccn3)nc2Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is YEAXTLSGCDHDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5/c1-13-5-7-14(8-6-13)19-21(25-15-9-10-17(23)16(22)12-15)26-20(28-27-19)18-4-2-3-11-24-18/h2-12H,1H3,(H,25,26,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 391.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(4-methylphenyl)-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 146048304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).