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

C19H20N6O — CID 112963852

IUPACN-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nncc(Nc3cccc(C)c3C)n2)c1
InChIInChI=1S/C19H20N6O/c1-12-6-4-9-17(13(12)2)23-18-11-20-25-19(24-18)22-16-8-5-7-15(10-16)21-14(3)26/h4-11H,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyVJAPZYMUGOEHDK-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.93
Rot. Bonds5

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

N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (PubChem CID 112963852) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
PubChem CID112963852
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nncc(Nc3cccc(C)c3C)n2)c1
InChIInChI=1S/C19H20N6O/c1-12-6-4-9-17(13(12)2)23-18-11-20-25-19(24-18)22-16-8-5-7-15(10-16)21-14(3)26/h4-11H,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyVJAPZYMUGOEHDK-UHFFFAOYSA-N
XLogP3.93
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112961791
N-[3-[[3-(2-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112961895
1-[4-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112963851
N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963514
5-N-(2,3-dimethylphenyl)-3-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963388
N-[3-[[5-(3,5-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968532
N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965483
1-[3-[[5-(3-chloro-2-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112966164
3-N-(3,4-difluorophenyl)-5-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963894
N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112965022
N-[3-[[5-(3,4-difluoroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968543
N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112967341

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (CID 112963852) is N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nncc(Nc3cccc(C)c3C)n2)c1.
What is the InChIKey of N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The InChIKey is VJAPZYMUGOEHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12-6-4-9-17(13(12)2)23-18-11-20-25-19(24-18)22-16-8-5-7-15(10-16)21-14(3)26/h4-11H,1-3H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112963852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).