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

C19H20N6O — CID 112963514

IUPACN-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nncc(Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C19H20N6O/c1-12-7-13(2)9-17(8-12)22-18-11-20-25-19(24-18)23-16-6-4-5-15(10-16)21-14(3)26/h4-11H,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyZHAZFZFGYWERCC-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.93
Rot. Bonds5

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

N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (PubChem CID 112963514) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
PubChem CID112963514
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nncc(Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C19H20N6O/c1-12-7-13(2)9-17(8-12)22-18-11-20-25-19(24-18)23-16-6-4-5-15(10-16)21-14(3)26/h4-11H,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyZHAZFZFGYWERCC-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-(3,5-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968532
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
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
N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963852
3-N-(3-chlorophenyl)-5-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963487
N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112965022
N-[3-[[3-(3-chloro-4-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112966681
N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112967731
N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965483
N-[4-[[3-(3-chloroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965949

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (CID 112963514) is N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nncc(Nc3cc(C)cc(C)c3)n2)c1.
What is the InChIKey of N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The InChIKey is ZHAZFZFGYWERCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12-7-13(2)9-17(8-12)22-18-11-20-25-19(24-18)23-16-6-4-5-15(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-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
N-[3-[[5-(3,5-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-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112963514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).