5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

C10H11N5O2 — CID 165363549

IUPAC5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
SMILESCC1=NNC(=O)N(/N=C/c2cccnc2)C1O
InChIInChI=1S/C10H11N5O2/c1-7-9(16)15(10(17)14-13-7)12-6-8-3-2-4-11-5-8/h2-6,9,16H,1H3,(H,14,17)/b12-6+
InChIKeyFIRZWXQKJBFMDJ-WUXMJOGZSA-N
MW233.23 g/mol
LogP0.14
Rot. Bonds2

About 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one

5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one (PubChem CID 165363549) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
PubChem CID165363549
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
SMILESCC1=NNC(=O)N(/N=C/c2cccnc2)C1O
InChIInChI=1S/C10H11N5O2/c1-7-9(16)15(10(17)14-13-7)12-6-8-3-2-4-11-5-8/h2-6,9,16H,1H3,(H,14,17)/b12-6+
InChIKeyFIRZWXQKJBFMDJ-WUXMJOGZSA-N
XLogP0.14
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-4-[(Z)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 6035169
5-methyl-3-[(E)-pyridin-3-ylmethylideneamino]-1H-imidazol-2-one
CID 19350745
2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 3787566
6-(ethoxymethyl)-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 19350746
2-[(4S)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5402530
6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydropyrazin-3-one
CID 172942188
3,4-dimethyl-5-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one
CID 54354310
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 660525
5-tert-butyl-3-(pyridin-3-ylmethylideneamino)-1H-imidazol-2-one;hydrochloride
CID 70341389
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-pyridin-3-ylmethanimine
CID 786981
4-(1H-benzimidazol-2-yl)-1,3-thiazole;6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one
CID 88537474

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?
The IUPAC name of 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one (CID 165363549) is 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one is CC1=NNC(=O)N(/N=C/c2cccnc2)C1O.
What is the InChIKey of 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?
The InChIKey is FIRZWXQKJBFMDJ-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-9(16)15(10(17)14-13-7)12-6-8-3-2-4-11-5-8/h2-6,9,16H,1H3,(H,14,17)/b12-6+.
What are the key properties of 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one?
5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one has a molecular weight of 233.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-4-[(E)-pyridin-3-ylmethylideneamino]-2,5-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 165363549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).