N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide

C17H15FN6O — CID 112965483

IUPACN-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cnnc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C17H15FN6O/c1-11(25)20-12-5-4-6-13(9-12)21-16-10-19-24-17(23-16)22-15-8-3-2-7-14(15)18/h2-10H,1H3,(H,20,25)(H2,21,22,23,24)
InChIKeyBBDVHZVUOFQPLO-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.46
Rot. Bonds5

About N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide

N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (PubChem CID 112965483) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
PubChem CID112965483
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC NameN-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cnnc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C17H15FN6O/c1-11(25)20-12-5-4-6-13(9-12)21-16-10-19-24-17(23-16)22-15-8-3-2-7-14(15)18/h2-10H,1H3,(H,20,25)(H2,21,22,23,24)
InChIKeyBBDVHZVUOFQPLO-UHFFFAOYSA-N
XLogP3.46
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide 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

N-[3-[[3-(2-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112961895
N-[3-[[5-(3,4-difluoroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968543
N-[3-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112961791
N-[3-[[3-(3-chloro-4-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112966681
5-N-(3-chlorophenyl)-3-N-(2-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965455
N-[3-[[5-(3,5-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968532
N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963514
N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963852
N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112967341
N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112967731
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
3-N-(2-fluorophenyl)-5-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962174

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (CID 112965483) is N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cnnc(Nc3ccccc3F)n2)c1.
What is the InChIKey of N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The InChIKey is BBDVHZVUOFQPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-11(25)20-12-5-4-6-13(9-12)21-16-10-19-24-17(23-16)22-15-8-3-2-7-14(15)18/h2-10H,1H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide has a molecular weight of 338.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112965483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).