5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one

C11H13N5O2 — CID 1492851

IUPAC5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one
SMILESCc1ccc(O)c(Nc2nc(N)c(=O)n(C)n2)c1
InChIInChI=1S/C11H13N5O2/c1-6-3-4-8(17)7(5-6)13-11-14-9(12)10(18)16(2)15-11/h3-5,17H,1-2H3,(H3,12,13,14,15)
InChIKeyIZNQZONWLBTUDE-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.52
Rot. Bonds2

About 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one

5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one (PubChem CID 1492851) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one
PubChem CID1492851
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one
SMILESCc1ccc(O)c(Nc2nc(N)c(=O)n(C)n2)c1
InChIInChI=1S/C11H13N5O2/c1-6-3-4-8(17)7(5-6)13-11-14-9(12)10(18)16(2)15-11/h3-5,17H,1-2H3,(H3,12,13,14,15)
InChIKeyIZNQZONWLBTUDE-UHFFFAOYSA-N
XLogP0.52
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one?
The IUPAC name of 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one (CID 1492851) is 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one.
What is the SMILES notation for 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one?
The canonical SMILES for 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one is Cc1ccc(O)c(Nc2nc(N)c(=O)n(C)n2)c1.
What is the InChIKey of 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one?
The InChIKey is IZNQZONWLBTUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-3-4-8(17)7(5-6)13-11-14-9(12)10(18)16(2)15-11/h3-5,17H,1-2H3,(H3,12,13,14,15).
What are the key properties of 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one?
5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one has a molecular weight of 247.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-hydroxy-5-methylanilino)-1-methyl-1,2,4-triazin-6-one is sourced from PubChem (CID 1492851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).