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

C18H18N6O — CID 112962206

IUPACN-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nncc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H18N6O/c1-12-3-5-15(6-4-12)21-17-11-19-24-18(23-17)22-16-9-7-14(8-10-16)20-13(2)25/h3-11H,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyWLVNQKQVFRRSJA-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.63
Rot. Bonds5

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

N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (PubChem CID 112962206) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
PubChem CID112962206
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nncc(Nc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C18H18N6O/c1-12-3-5-15(6-4-12)21-17-11-19-24-18(23-17)22-16-9-7-14(8-10-16)20-13(2)25/h3-11H,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyWLVNQKQVFRRSJA-UHFFFAOYSA-N
XLogP3.63
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968545
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-[[4-(4-acetamidoanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 159166665
N-[3-[[5-(3,5-dimethylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112963514
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
5-N-(4-methylphenyl)-3-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112962196

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (CID 112962206) is N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nncc(Nc3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The InChIKey is WLVNQKQVFRRSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-3-5-15(6-4-12)21-17-11-19-24-18(23-17)22-16-9-7-14(8-10-16)20-13(2)25/h3-11H,1-2H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112962206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).