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

C11H10ClN5O2 — CID 135567721

IUPAC3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2cc(Cl)ccc2O)[nH]c1=O
InChIInChI=1S/C11H10ClN5O2/c1-6-10(19)14-11(17-15-6)16-13-5-7-4-8(12)2-3-9(7)18/h2-5,18H,1H3,(H2,14,16,17,19)/b13-5+
InChIKeyLVXVSLKONBCSON-WLRTZDKTSA-N
MW279.69 g/mol
LogP1.28
Rot. Bonds3

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

3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135567721) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is 3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135567721
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC Name3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2cc(Cl)ccc2O)[nH]c1=O
InChIInChI=1S/C11H10ClN5O2/c1-6-10(19)14-11(17-15-6)16-13-5-7-4-8(12)2-3-9(7)18/h2-5,18H,1H3,(H2,14,16,17,19)/b13-5+
InChIKeyLVXVSLKONBCSON-WLRTZDKTSA-N
XLogP1.28
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 51.28
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

2,2'-Bis[(5-chloro-2-hydroxyphenyl)methylene]-carbonic Dihydrazide
CID 135527074
3-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135409374
3,5-Dichloro-2-hydroxybenzaldehyde (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135458780
4-chloro-2-{[(3-ethyl-5-mercapto-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
CID 135488906
1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135408530
(E)-6-(tert-butyl)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1,2,4-triazin-5(4H)-one
CID 135607764
3-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135596722
3-[(2E)-2-[1-(5-fluoro-2-hydroxyphenyl)propylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135820828
1-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]guanidine;hydrochloride
CID 135422288
N',2-Bis(5-chloro-2-hydroxybenzylidene)hydrazinecarboximidohydrazide
CID 135429817
3-[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5-ol
CID 135454383
Salicylaldehyde, (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135509493

Frequently Asked Questions

What is the IUPAC name of 3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135567721) is 3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C/c2cc(Cl)ccc2O)[nH]c1=O.
What is the InChIKey of 3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is LVXVSLKONBCSON-WLRTZDKTSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c1-6-10(19)14-11(17-15-6)16-13-5-7-4-8(12)2-3-9(7)18/h2-5,18H,1H3,(H2,14,16,17,19)/b13-5+.
What are the key properties of 3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 279.69 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135567721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).