1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione

C16H21N7O2 — CID 166103798

IUPAC1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(N2N=CCN2)nn1
InChIInChI=1S/C16H21N7O2/c24-15-16(25)22(13-3-1-2-4-13)10-9-21(15)11-12-5-6-14(20-19-12)23-17-7-8-18-23/h5-7,13,18H,1-4,8-11H2
InChIKeyOGUDTASJTBMPGU-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.10
Rot. Bonds4

About 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione

1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione (PubChem CID 166103798) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
PubChem CID166103798
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
SMILESO=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(N2N=CCN2)nn1
InChIInChI=1S/C16H21N7O2/c24-15-16(25)22(13-3-1-2-4-13)10-9-21(15)11-12-5-6-14(20-19-12)23-17-7-8-18-23/h5-7,13,18H,1-4,8-11H2
InChIKeyOGUDTASJTBMPGU-UHFFFAOYSA-N
XLogP-0.10
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione with MolForge

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Related Compounds

1-cyclopentyl-4-[[6-(1,3-thiazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione
CID 166103687
1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione
CID 166103271
1-cyclopentyl-4-[[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 166103727
1-cyclobutyl-4-[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,3-dione
CID 166103626
1-cyclopentyl-4-[(3-fluoro-5-phenyl-2-pyridinyl)methyl]piperazine-2,3-dione
CID 166103593
1-cyclopentyl-4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]methyl]piperazine-2,3-dione
CID 166103430
1-cyclobutyl-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,3-dione
CID 166103881
1-cyclopentyl-4-[(1-oxido-6-phenylpyridin-1-ium-3-yl)methyl]piperazine-2,3-dione
CID 166103469
1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione
CID 95092851
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 20930287
4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 53009375
4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide
CID 53135499

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione (CID 166103798) is 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione is O=C1C(=O)N(C2CCCC2)CCN1Cc1ccc(N2N=CCN2)nn1.
What is the InChIKey of 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione?
The InChIKey is OGUDTASJTBMPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c24-15-16(25)22(13-3-1-2-4-13)10-9-21(15)11-12-5-6-14(20-19-12)23-17-7-8-18-23/h5-7,13,18H,1-4,8-11H2.
What are the key properties of 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione?
1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione has a molecular weight of 343.39 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[6-(1,5-dihydrotriazol-2-yl)pyridazin-3-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 166103798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).