3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one

C5H9N3O2 — CID 149206156

IUPAC3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one
SMILESCN1N=CC(=O)N(C)C1O
InChIInChI=1S/C5H9N3O2/c1-7-4(9)3-6-8(2)5(7)10/h3,5,10H,1-2H3
InChIKeyXFQNOCYGFYBARM-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.35
Rot. Bonds

About 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one

3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one (PubChem CID 149206156) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one
PubChem CID149206156
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one
SMILESCN1N=CC(=O)N(C)C1O
InChIInChI=1S/C5H9N3O2/c1-7-4(9)3-6-8(2)5(7)10/h3,5,10H,1-2H3
InChIKeyXFQNOCYGFYBARM-UHFFFAOYSA-N
XLogP-1.35
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one?
The IUPAC name of 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one (CID 149206156) is 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one?
The canonical SMILES for 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one is CN1N=CC(=O)N(C)C1O.
What is the InChIKey of 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one?
The InChIKey is XFQNOCYGFYBARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-7-4(9)3-6-8(2)5(7)10/h3,5,10H,1-2H3.
What are the key properties of 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one?
3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one has a molecular weight of 143.15 g/mol, XLogP of -1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4-dimethyl-3H-1,2,4-triazin-5-one is sourced from PubChem (CID 149206156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).