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

C19H20N6O — CID 112948149

IUPACN-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cnnc(NCc3ccccc3C)n2)c1
InChIInChI=1S/C19H20N6O/c1-13-6-3-4-7-15(13)11-20-19-24-18(12-21-25-19)23-17-9-5-8-16(10-17)22-14(2)26/h3-10,12H,11H2,1-2H3,(H,22,26)(H2,20,23,24,25)
InChIKeyHKBFCGNENXKXQI-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.49
Rot. Bonds6

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

N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide (PubChem CID 112948149) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
PubChem CID112948149
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cnnc(NCc3ccccc3C)n2)c1
InChIInChI=1S/C19H20N6O/c1-13-6-3-4-7-15(13)11-20-19-24-18(12-21-25-19)23-17-9-5-8-16(10-17)22-14(2)26/h3-10,12H,11H2,1-2H3,(H,22,26)(H2,20,23,24,25)
InChIKeyHKBFCGNENXKXQI-UHFFFAOYSA-N
XLogP3.49
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[3-(2-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112961895
N-[3-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112961791
N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112965022
N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963514
N-[3-[[3-[(3,4-dimethoxyphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112956445
N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963852
N-[4-[[3-[(2-methoxyphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112950981
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
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
5-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948179

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide (CID 112948149) is N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cnnc(NCc3ccccc3C)n2)c1.
What is the InChIKey of N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The InChIKey is HKBFCGNENXKXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-6-3-4-7-15(13)11-20-19-24-18(12-21-25-19)23-17-9-5-8-16(10-17)22-14(2)26/h3-10,12H,11H2,1-2H3,(H,22,26)(H2,20,23,24,25).
What are the key properties of N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112948149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).