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

C19H20N6O2 — CID 112967731

IUPACN-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCOc1ccc(C)cc1Nc1nncc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C19H20N6O2/c1-12-7-8-17(27-3)16(9-12)23-19-24-18(11-20-25-19)22-15-6-4-5-14(10-15)21-13(2)26/h4-11H,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyGATVIQJZRJEVOU-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.63
Rot. Bonds6

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

N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (PubChem CID 112967731) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
PubChem CID112967731
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCOc1ccc(C)cc1Nc1nncc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C19H20N6O2/c1-12-7-8-17(27-3)16(9-12)23-19-24-18(11-20-25-19)22-15-6-4-5-14(10-15)21-13(2)26/h4-11H,1-3H3,(H,21,26)(H2,22,23,24,25)
InChIKeyGATVIQJZRJEVOU-UHFFFAOYSA-N
XLogP3.63
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112967734
N-[3-[[5-(5-chloro-2-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112966903
5-N-(3,4-dimethylphenyl)-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963331
N-[3-[[3-(2-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112961895
N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112967341
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
5-N-(3,5-dichlorophenyl)-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967758
5-N-(4-chlorophenyl)-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966011
5-N-(2,3-dichlorophenyl)-3-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967760
N-[3-[[3-(2-fluoroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965483
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963417

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (CID 112967731) is N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is COc1ccc(C)cc1Nc1nncc(Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The InChIKey is GATVIQJZRJEVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12-7-8-17(27-3)16(9-12)23-19-24-18(11-20-25-19)22-15-6-4-5-14(10-15)21-13(2)26/h4-11H,1-3H3,(H,21,26)(H2,22,23,24,25).
What are the key properties of N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide has a molecular weight of 364.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(2-methoxy-5-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112967731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).