3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C13H15N5O2 — CID 135493434

IUPAC3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(/C(C)=N\Nc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H15N5O2/c1-8(10-4-6-11(20-3)7-5-10)15-17-13-14-12(19)9(2)16-18-13/h4-7H,1-3H3,(H2,14,17,18,19)/b15-8-
InChIKeyJHRHVFILLIOMNN-NVNXTCNLSA-N
MW273.30 g/mol
LogP1.32
Rot. Bonds4

About 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135493434) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135493434
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(/C(C)=N\Nc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H15N5O2/c1-8(10-4-6-11(20-3)7-5-10)15-17-13-14-12(19)9(2)16-18-13/h4-7H,1-3H3,(H2,14,17,18,19)/b15-8-
InChIKeyJHRHVFILLIOMNN-NVNXTCNLSA-N
XLogP1.32
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135493434) is 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is COc1ccc(/C(C)=N\Nc2nnc(C)c(=O)[nH]2)cc1.
What is the InChIKey of 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is JHRHVFILLIOMNN-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(10-4-6-11(20-3)7-5-10)15-17-13-14-12(19)9(2)16-18-13/h4-7H,1-3H3,(H2,14,17,18,19)/b15-8-.
What are the key properties of 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 273.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135493434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).