4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide

C18H15ClN6O2 — CID 135794880

IUPAC4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide
SMILESCc1nnc(N/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)[nH]c1=O
InChIInChI=1S/C18H15ClN6O2/c1-11-16(26)22-18(25-23-11)24-20-10-12-3-2-4-15(9-12)21-17(27)13-5-7-14(19)8-6-13/h2-10H,1H3,(H,21,27)(H2,22,24,25,26)/b20-10+
InChIKeyGBNXMHBZZUCTQZ-KEBDBYFISA-N
MW382.81 g/mol
LogP2.83
Rot. Bonds5

About 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide

4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide (PubChem CID 135794880) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide
PubChem CID135794880
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide
SMILESCc1nnc(N/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)[nH]c1=O
InChIInChI=1S/C18H15ClN6O2/c1-11-16(26)22-18(25-23-11)24-20-10-12-3-2-4-15(9-12)21-17(27)13-5-7-14(19)8-6-13/h2-10H,1H3,(H,21,27)(H2,22,24,25,26)/b20-10+
InChIKeyGBNXMHBZZUCTQZ-KEBDBYFISA-N
XLogP2.83
TPSA112.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.83
H-Bond Donors ≤ 53
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

3-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135590866
3-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136733501
3-[2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135447264
4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide
CID 18267434
6-methyl-3-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135454374
4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
CID 2419562
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-ethoxybenzamide
CID 6906990
[2-methoxy-4-[(Z)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 135784996
3-[(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135721365
3-[(2E)-2-[(3-fluoro-4-pyrazol-1-ylphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 166202519
3-[(2Z)-2-[[4-(dimethylamino)-3-nitrophenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135785033
4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide
CID 18272424

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide (CID 135794880) is 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide is Cc1nnc(N/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)[nH]c1=O.
What is the InChIKey of 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide?
The InChIKey is GBNXMHBZZUCTQZ-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-11-16(26)22-18(25-23-11)24-20-10-12-3-2-4-15(9-12)21-17(27)13-5-7-14(19)8-6-13/h2-10H,1H3,(H,21,27)(H2,22,24,25,26)/b20-10+.
What are the key properties of 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide?
4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide has a molecular weight of 382.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide is sourced from PubChem (CID 135794880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).