2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide

C14H21N5O4S — CID 8968571

IUPAC2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide
SMILESCn1nc(SCC(=O)NNC(=O)CC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H21N5O4S/c1-18-13(22)12(17-19(2)14(18)23)24-8-11(21)16-15-10(20)7-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyCWCHWBYOOLFNDE-UHFFFAOYSA-N
MW355.42 g/mol
LogP-0.70
Rot. Bonds5

About 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide

2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide (PubChem CID 8968571) has the molecular formula C14H21N5O4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide
PubChem CID8968571
Molecular FormulaC14H21N5O4S
Molecular Weight355.42 g/mol
Exact Mass355.13
IUPAC Name2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide
SMILESCn1nc(SCC(=O)NNC(=O)CC2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H21N5O4S/c1-18-13(22)12(17-19(2)14(18)23)24-8-11(21)16-15-10(20)7-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyCWCHWBYOOLFNDE-UHFFFAOYSA-N
XLogP-0.70
TPSA115.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]hexa-2,4-dienehydrazide
CID 8968601
N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]-4-propan-2-ylbenzohydrazide
CID 8968558
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879163
N'-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetohydrazide
CID 25495951
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-3-phenylpropylideneamino]acetamide
CID 8879412
N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879514
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879349
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 8879153
N-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879674
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 8879293
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]acetamide
CID 8872985
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 8879680

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide?
The IUPAC name of 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide (CID 8968571) is 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide.
What is the SMILES notation for 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide?
The canonical SMILES for 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide is Cn1nc(SCC(=O)NNC(=O)CC2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide?
The InChIKey is CWCHWBYOOLFNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S/c1-18-13(22)12(17-19(2)14(18)23)24-8-11(21)16-15-10(20)7-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide?
2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide has a molecular weight of 355.42 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N'-[2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetyl]acetohydrazide is sourced from PubChem (CID 8968571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).