5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one

C12H14N4O2 — CID 7213919

IUPAC5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCOc1ccc(Nc2nc(=O)[nH]nc2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)13-11-8(2)15-16-12(17)14-11/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyICQDBVXYTCDRPN-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.62
Rot. Bonds4

About 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one

5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 7213919) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID7213919
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
SMILESCCOc1ccc(Nc2nc(=O)[nH]nc2C)cc1
InChIInChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)13-11-8(2)15-16-12(17)14-11/h4-7H,3H2,1-2H3,(H2,13,14,16,17)
InChIKeyICQDBVXYTCDRPN-UHFFFAOYSA-N
XLogP1.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-5-[(2Z)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 7231540
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
4-N-(4-ethoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769010
6-methyl-5-[(2E)-2-[[4-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 110514489
2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one
CID 135645208
2-(4-ethoxyanilino)-4-methyl-5-propyl-1H-pyrimidin-6-one
CID 135629152
N-(4-ethoxyphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 52998660
6-methyl-5-[2-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 71966404
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113019734

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one (CID 7213919) is 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one is CCOc1ccc(Nc2nc(=O)[nH]nc2C)cc1.
What is the InChIKey of 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is ICQDBVXYTCDRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-10-6-4-9(5-7-10)13-11-8(2)15-16-12(17)14-11/h4-7H,3H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one?
5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 246.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyanilino)-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 7213919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).