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

C11H11N5O3 — CID 135412186

IUPAC5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C11H11N5O3/c1-6-10(13-11(19)16-14-6)15-12-5-7-2-3-8(17)4-9(7)18/h2-5,17-18H,1H3,(H2,13,15,16,19)/b12-5+
InChIKeySQPWXWIMOIDLCA-LFYBBSHMSA-N
MW261.24 g/mol
LogP0.33
Rot. Bonds3

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

5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (PubChem CID 135412186) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
PubChem CID135412186
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
SMILESCc1n[nH]c(=O)nc1N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C11H11N5O3/c1-6-10(13-11(19)16-14-6)15-12-5-7-2-3-8(17)4-9(7)18/h2-5,17-18H,1H3,(H2,13,15,16,19)/b12-5+
InChIKeySQPWXWIMOIDLCA-LFYBBSHMSA-N
XLogP0.33
TPSA123.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

5-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412297
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 135412139
5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412161
5-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 136853969
6-methyl-5-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 71967014
5-(4-hydroxyanilino)-6-methyl-2H-1,2,4-triazin-3-one
CID 2792518
6-methyl-5-[2-(pyridin-3-ylmethylidene)hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789675
5-(4-hydroxy-2-methylanilino)-6-methyl-2H-1,2,4-triazin-3-one
CID 135771764
6-methyl-5-[2-[(2-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 71967221
5-[(2E)-2-[(1-ethylindol-3-yl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 110514494
5-[2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 71966470
4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831564

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one (CID 135412186) is 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is Cc1n[nH]c(=O)nc1N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
The InChIKey is SQPWXWIMOIDLCA-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-6-10(13-11(19)16-14-6)15-12-5-7-2-3-8(17)4-9(7)18/h2-5,17-18H,1H3,(H2,13,15,16,19)/b12-5+.
What are the key properties of 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one?
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one has a molecular weight of 261.24 g/mol, XLogP of 0.33, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 135412186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).