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

C18H18N6O — CID 112962410

IUPACN-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nncc(N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C18H18N6O/c1-13(25)20-14-8-10-15(11-9-14)21-18-22-17(12-19-23-18)24(2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyQUVLYFXCEVTCKV-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.34
Rot. Bonds5

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

N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (PubChem CID 112962410) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
PubChem CID112962410
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nncc(N(C)c3ccccc3)n2)cc1
InChIInChI=1S/C18H18N6O/c1-13(25)20-14-8-10-15(11-9-14)21-18-22-17(12-19-23-18)24(2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyQUVLYFXCEVTCKV-UHFFFAOYSA-N
XLogP3.34
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962413
N-[4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112902066
N-[4-[[3-(4-acetamidoanilino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112968545
5-N-methyl-5-N-phenyl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962373
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-[[5-(4-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112962206
methyl 4-[[4-(N-methylanilino)pyrimidin-2-yl]amino]benzoate
CID 112902069
N-[4-[[5-[2-(dimethylamino)ethylamino]-1,2,4-triazin-3-yl]amino]phenyl]acetamide
CID 112944839
3-N-(3-chloro-2-methylphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962383
N-[4-[[4,6-bis(4-acetamidoanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
CID 11763127
1-[4-[[5-[benzyl(ethyl)amino]-1,2,4-triazin-3-yl]amino]phenyl]ethanone
CID 112951649

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide (CID 112962410) is N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nncc(N(C)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
The InChIKey is QUVLYFXCEVTCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13(25)20-14-8-10-15(11-9-14)21-18-22-17(12-19-23-18)24(2)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,20,25)(H,21,22,23).
What are the key properties of N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide?
N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide has a molecular weight of 334.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(N-methylanilino)-1,2,4-triazin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112962410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).