6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

C18H17N5O2 — CID 135456443

IUPAC6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(=NNc1nnc(Cc2ccccc2)c(=O)[nH]1)c1ccccc1O
InChIInChI=1S/C18H17N5O2/c1-12(14-9-5-6-10-16(14)24)20-22-18-19-17(25)15(21-23-18)11-13-7-3-2-4-8-13/h2-10,24H,11H2,1H3,(H2,19,22,23,25)
InChIKeyKZUHPKVLEVTLGT-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.30
Rot. Bonds5

About 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one

6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135456443) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135456443
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(=NNc1nnc(Cc2ccccc2)c(=O)[nH]1)c1ccccc1O
InChIInChI=1S/C18H17N5O2/c1-12(14-9-5-6-10-16(14)24)20-22-18-19-17(25)15(21-23-18)11-13-7-3-2-4-8-13/h2-10,24H,11H2,1H3,(H2,19,22,23,25)
InChIKeyKZUHPKVLEVTLGT-UHFFFAOYSA-N
XLogP2.30
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.30
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

6-benzyl-3-[2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135520951
6-benzyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
CID 135408009
6-benzyl-3-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135439788
3-(4-anilinoanilino)-6-benzyl-4H-1,2,4-triazin-5-one
CID 135594235
6-benzyl-3-[[(1S)-1-phenylethyl]amino]-4H-1,2,4-triazin-5-one
CID 135774769
6-benzyl-3-(2-fluoroanilino)-4H-1,2,4-triazin-5-one
CID 135582178
6-benzyl-3-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135544495
6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135541586
6-benzyl-3-(2-but-1-enylhydrazinyl)-4H-1,2,4-triazin-5-one
CID 135682730
3-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135478995
6-[(3,4-dimethoxyphenyl)methyl]-3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135517100
2-chloro-N'-[6-[(4-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazin-3-yl]benzohydrazide
CID 135552000

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135456443) is 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is CC(=NNc1nnc(Cc2ccccc2)c(=O)[nH]1)c1ccccc1O.
What is the InChIKey of 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is KZUHPKVLEVTLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12(14-9-5-6-10-16(14)24)20-22-18-19-17(25)15(21-23-18)11-13-7-3-2-4-8-13/h2-10,24H,11H2,1H3,(H2,19,22,23,25).
What are the key properties of 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 335.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135456443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).