N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide

C12H13N5O2 — CID 135713561

IUPACN-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nnc(C)c(=O)[nH]2)c1
InChIInChI=1S/C12H13N5O2/c1-7-11(19)15-12(17-16-7)14-10-5-3-4-9(6-10)13-8(2)18/h3-6H,1-2H3,(H,13,18)(H2,14,15,17,19)
InChIKeyWHRFFOUJBOHKQV-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.18
Rot. Bonds3

About N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide

N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide (PubChem CID 135713561) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
PubChem CID135713561
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nnc(C)c(=O)[nH]2)c1
InChIInChI=1S/C12H13N5O2/c1-7-11(19)15-12(17-16-7)14-10-5-3-4-9(6-10)13-8(2)18/h3-6H,1-2H3,(H,13,18)(H2,14,15,17,19)
InChIKeyWHRFFOUJBOHKQV-UHFFFAOYSA-N
XLogP1.18
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135432564
N-(3-acetamidophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135490028
3-(2-hydroxyanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135515938
N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 135436593
4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide
CID 135794880
N-[3-(4-fluoroanilino)phenyl]acetamide
CID 82536071
N-[3-[(6-chloro-1H-benzimidazol-2-yl)amino]phenyl]acetamide
CID 82562667
1-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]-3-phenylthiourea
CID 135629828
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-(3-methylphenyl)acetamide
CID 10843
6-methyl-3-[4-(trifluoromethoxy)anilino]-4H-1,2,4-triazin-5-one
CID 135561108
3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135590866

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide (CID 135713561) is N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nnc(C)c(=O)[nH]2)c1.
What is the InChIKey of N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide?
The InChIKey is WHRFFOUJBOHKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-11(19)15-12(17-16-7)14-10-5-3-4-9(6-10)13-8(2)18/h3-6H,1-2H3,(H,13,18)(H2,14,15,17,19).
What are the key properties of N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide?
N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide has a molecular weight of 259.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 135713561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).