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

C12H11Cl2N5O — CID 135784964

IUPAC3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESC/C(=N/Nc1nnc(C)c(=O)[nH]1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N5O/c1-6(9-5-8(13)3-4-10(9)14)16-18-12-15-11(20)7(2)17-19-12/h3-5H,1-2H3,(H2,15,18,19,20)/b16-6-
InChIKeyJRWDOJFKSIZRHL-SOFYXZRVSA-N
MW312.16 g/mol
LogP2.62
Rot. Bonds3

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

3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135784964) has the molecular formula C12H11Cl2N5O and a molecular weight of 312.16 g/mol. Its IUPAC name is 3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135784964
Molecular FormulaC12H11Cl2N5O
Molecular Weight312.16 g/mol
Exact Mass311.03
IUPAC Name3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESC/C(=N/Nc1nnc(C)c(=O)[nH]1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N5O/c1-6(9-5-8(13)3-4-10(9)14)16-18-12-15-11(20)7(2)17-19-12/h3-5H,1-2H3,(H2,15,18,19,20)/b16-6-
InChIKeyJRWDOJFKSIZRHL-SOFYXZRVSA-N
XLogP2.62
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(2Z)-2-[1-(2,4-dichloro-5-fluorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784793
6-methyl-3-[2-(1-phenylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135541586
3-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135478995
6-methyl-3-[2-(1-pyridin-4-ylethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135531949
3-(2,5-dichloroanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135514995
3-[(2Z)-2-[1-(9H-fluoren-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784985
3-[(2Z)-2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135847872
2-[(2E)-2-[1-(5-chloro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824258
6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135785050
3-[(2Z)-2-[1-(1,3-benzothiazol-2-yl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135739408
6-methyl-3-[(2Z)-2-[1-(4-morpholin-4-ylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135847871
3-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135447264

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135784964) is 3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is C/C(=N/Nc1nnc(C)c(=O)[nH]1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is JRWDOJFKSIZRHL-SOFYXZRVSA-N. The full InChI is InChI=1S/C12H11Cl2N5O/c1-6(9-5-8(13)3-4-10(9)14)16-18-12-15-11(20)7(2)17-19-12/h3-5H,1-2H3,(H2,15,18,19,20)/b16-6-.
What are the key properties of 3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 312.16 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135784964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).