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

C17H22N6O3S — CID 135785050

IUPAC6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESC/C(=N/Nc1nnc(C)c(=O)[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H22N6O3S/c1-12(19-21-17-18-16(24)13(2)20-22-17)14-6-8-15(9-7-14)27(25,26)23-10-4-3-5-11-23/h6-9H,3-5,10-11H2,1-2H3,(H2,18,21,22,24)/b19-12-
InChIKeyJJJUFQPAYXUUAU-UNOMPAQXSA-N
MW390.47 g/mol
LogP1.48
Rot. Bonds5

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

6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135785050) has the molecular formula C17H22N6O3S and a molecular weight of 390.47 g/mol. Its IUPAC name is 6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135785050
Molecular FormulaC17H22N6O3S
Molecular Weight390.47 g/mol
Exact Mass390.15
IUPAC Name6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESC/C(=N/Nc1nnc(C)c(=O)[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H22N6O3S/c1-12(19-21-17-18-16(24)13(2)20-22-17)14-6-8-15(9-7-14)27(25,26)23-10-4-3-5-11-23/h6-9H,3-5,10-11H2,1-2H3,(H2,18,21,22,24)/b19-12-
InChIKeyJJJUFQPAYXUUAU-UNOMPAQXSA-N
XLogP1.48
TPSA120.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-methyl-3-[(2Z)-2-[1-(4-morpholin-4-ylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
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2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
CID 8883829
3-chloro-4-methyl-N-[(Z)-1-(4-piperazin-1-ylsulfonylphenyl)ethylideneamino]aniline
CID 9069268
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CID 852205
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
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methyl 4-piperidin-1-ylsulfonylbenzoate
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1-(4-methylphenyl)sulfonyl-azacycloundecane
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N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 6270425

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135785050) is 6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is C/C(=N/Nc1nnc(C)c(=O)[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is JJJUFQPAYXUUAU-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H22N6O3S/c1-12(19-21-17-18-16(24)13(2)20-22-17)14-6-8-15(9-7-14)27(25,26)23-10-4-3-5-11-23/h6-9H,3-5,10-11H2,1-2H3,(H2,18,21,22,24)/b19-12-.
What are the key properties of 6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 390.47 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2Z)-2-[1-(4-piperidin-1-ylsulfonylphenyl)ethylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135785050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).