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

C18H18N6O2 — CID 112967341

IUPACN-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2cnnc(Nc3cccc(NC(C)=O)c3)n2)cc1
InChIInChI=1S/C18H18N6O2/c1-12(25)20-14-4-3-5-15(10-14)22-18-23-17(11-19-24-18)21-13-6-8-16(26-2)9-7-13/h3-11H,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyICNLPQCKRYYMMH-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.33
Rot. Bonds6

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

N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (PubChem CID 112967341) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
PubChem CID112967341
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCOc1ccc(Nc2cnnc(Nc3cccc(NC(C)=O)c3)n2)cc1
InChIInChI=1S/C18H18N6O2/c1-12(25)20-14-4-3-5-15(10-14)22-18-23-17(11-19-24-18)21-13-6-8-16(26-2)9-7-13/h3-11H,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyICNLPQCKRYYMMH-UHFFFAOYSA-N
XLogP3.33
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[[3-(4-methoxyanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112967409
N-[3-[[5-(3,4-difluoroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968543
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
N-[4-[[3-(3-chloroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965949
N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968545
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-[[5-(5-chloro-2-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112966903
1-[3-[[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112967626
3-N-(3-methoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967266
N-[3-[[3-(2-methylanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112961895

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (CID 112967341) is N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is COc1ccc(Nc2cnnc(Nc3cccc(NC(C)=O)c3)n2)cc1.
What is the InChIKey of N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The InChIKey is ICNLPQCKRYYMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12(25)20-14-4-3-5-15(10-14)22-18-23-17(11-19-24-18)21-13-6-8-16(26-2)9-7-13/h3-11H,1-2H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112967341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).