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

C18H17N5O2 — CID 135412070

IUPAC6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2ccccc2OCc2ccccc2)[nH]c1=O
InChIInChI=1S/C18H17N5O2/c1-13-17(24)20-18(23-21-13)22-19-11-15-9-5-6-10-16(15)25-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,22,23,24)/b19-11+
InChIKeyYYJCPSFTFRNESQ-YBFXNURJSA-N
MW335.37 g/mol
LogP2.50
Rot. Bonds6

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

6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135412070) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135412070
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/c2ccccc2OCc2ccccc2)[nH]c1=O
InChIInChI=1S/C18H17N5O2/c1-13-17(24)20-18(23-21-13)22-19-11-15-9-5-6-10-16(15)25-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,22,23,24)/b19-11+
InChIKeyYYJCPSFTFRNESQ-YBFXNURJSA-N
XLogP2.50
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one
CID 135506051
4-[(2E)-2-(2-ethoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
CID 9701618
3-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135488697
(4E)-4-[(2E)-(2-propoxybenzylidene)hydrazinylidene]-3,4-dihydropyrimidin-2(1H)-one
CID 9700012
2-Ethoxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135509502
{4-[2-(6-Methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)carbohydrazonoyl]phenoxy}acetic acid
CID 135814822
N'-[(Z)-(2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237177
4-Methoxybenzaldehyde (5-oxo-6-phenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazone
CID 135411612
4-amino-6-[(4-methoxyphenyl)methyl]-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,2,4-triazin-5-one
CID 70693720
3-[(2Z)-2-[1-(4-Methoxyphenyl)ethylidene]hydrazin-1-YL]-6-methyl-1,2,4-triazin-5-OL
CID 135493434
1,3-bis[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine
CID 54599024
1-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine
CID 54606037

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135412070) is 6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C/c2ccccc2OCc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is YYJCPSFTFRNESQ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13-17(24)20-18(23-21-13)22-19-11-15-9-5-6-10-16(15)25-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,22,23,24)/b19-11+.
What are the key properties of 6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 335.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2E)-2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).