N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide

C21H24N6O — CID 112965022

IUPACN-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCCc1cccc(CC)c1Nc1cnnc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C21H24N6O/c1-4-15-8-6-9-16(5-2)20(15)25-19-13-22-27-21(26-19)24-18-11-7-10-17(12-18)23-14(3)28/h6-13H,4-5H2,1-3H3,(H,23,28)(H2,24,25,26,27)
InChIKeyRSHYKTLCVVHSCY-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.44
Rot. Bonds7

About N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide

N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (PubChem CID 112965022) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
PubChem CID112965022
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCCc1cccc(CC)c1Nc1cnnc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C21H24N6O/c1-4-15-8-6-9-16(5-2)20(15)25-19-13-22-27-21(26-19)24-18-11-7-10-17(12-18)23-14(3)28/h6-13H,4-5H2,1-3H3,(H,23,28)(H2,24,25,26,27)
InChIKeyRSHYKTLCVVHSCY-UHFFFAOYSA-N
XLogP4.44
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963514
N-[3-[[5-(3,5-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968532
3-N-(2,6-diethylphenyl)-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961964
N-[3-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112961791
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-[[3-[(2-methylphenyl)methylamino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112948149
N-[3-[[5-(2,3-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963852
N-[3-[[3-(2-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112961895
N-[3-[[3-(3-chloro-4-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112966681
N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965483
N-[3-[[5-[(4-chlorophenyl)methylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112950562

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (CID 112965022) is N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is CCc1cccc(CC)c1Nc1cnnc(Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The InChIKey is RSHYKTLCVVHSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-4-15-8-6-9-16(5-2)20(15)25-19-13-22-27-21(26-19)24-18-11-7-10-17(12-18)23-14(3)28/h6-13H,4-5H2,1-3H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(2,6-diethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112965022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).