5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one

C11H11N5O2 — CID 135412159

IUPAC5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1N/N=C/c1ccccc1O
InChIInChI=1S/C11H11N5O2/c1-7-10(13-11(18)16-14-7)15-12-6-8-4-2-3-5-9(8)17/h2-6,17H,1H3,(H2,13,15,16,18)/b12-6+
InChIKeyYPEIWOFMBXZNCG-WUXMJOGZSA-N
MW245.24 g/mol
LogP0.62
Rot. Bonds3

About 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one

5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 135412159) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID135412159
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1N/N=C/c1ccccc1O
InChIInChI=1S/C11H11N5O2/c1-7-10(13-11(18)16-14-7)15-12-6-8-4-2-3-5-9(8)17/h2-6,17H,1H3,(H2,13,15,16,18)/b12-6+
InChIKeyYPEIWOFMBXZNCG-WUXMJOGZSA-N
XLogP0.62
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxybenzaldehyde semicarbazone
CID 135466838
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
(E)-4-(2-(2-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 135630654
2-{2-[1-(2-Hydroxyphenyl)propylidene]hydrazino}-2-oxoacetamide
CID 135521546
1,5-Bis(salicylidene)carbohydrazide
CID 96015
4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 135439466
2-[(E)-(3,4,5,6-tetrahydro-2H-azepin-7-ylhydrazinylidene)methyl]phenol;hydrochloride
CID 135512401
(E)-4-amino-6-(tert-butyl)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135517165
1,3-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
CID 135408529
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (CID 135412159) is 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1N/N=C/c1ccccc1O.
What is the InChIKey of 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is YPEIWOFMBXZNCG-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-7-10(13-11(18)16-14-7)15-12-6-8-4-2-3-5-9(8)17/h2-6,17H,1H3,(H2,13,15,16,18)/b12-6+.
What are the key properties of 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 245.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 135412159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).