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

C19H19N7O2 — CID 112968545

IUPACN-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cnnc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C19H19N7O2/c1-12(27)21-14-3-7-16(8-4-14)23-18-11-20-26-19(25-18)24-17-9-5-15(6-10-17)22-13(2)28/h3-11H,1-2H3,(H,21,27)(H,22,28)(H2,23,24,25,26)
InChIKeyKADFCOCJJCHHJD-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.28
Rot. Bonds6

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

N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (PubChem CID 112968545) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
PubChem CID112968545
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cnnc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C19H19N7O2/c1-12(27)21-14-3-7-16(8-4-14)23-18-11-20-26-19(25-18)24-17-9-5-15(6-10-17)22-13(2)28/h3-11H,1-2H3,(H,21,27)(H,22,28)(H2,23,24,25,26)
InChIKeyKADFCOCJJCHHJD-UHFFFAOYSA-N
XLogP3.28
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112962206
N-[4-[[3-(4-cyanoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968571
N-[4-[[3-[4-(diethylamino)anilino]-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968550
N-[4-[[5-[4-(diethylamino)anilino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968581
N-[4-[[3-(3-chloroanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112965949
N-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112940211
N-[4-[[5-(butylamino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112940016
N-[3-[[5-(4-methoxyanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112967341
N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112944839
N-[3-[[5-(3,4-difluoroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968543
N-[3-[[5-(3,5-dichloroanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112968532
N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963514

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide (CID 112968545) is N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cnnc(Nc3ccc(NC(C)=O)cc3)n2)cc1.
What is the InChIKey of N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
The InChIKey is KADFCOCJJCHHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-12(27)21-14-3-7-16(8-4-14)23-18-11-20-26-19(25-18)24-17-9-5-15(6-10-17)22-13(2)28/h3-11H,1-2H3,(H,21,27)(H,22,28)(H2,23,24,25,26).
What are the key properties of N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide?
N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112968545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).