2-pentyl-1H-pyridazine-3,6-dione

C9H14N2O2 — CID 70599423

IUPAC2-pentyl-1H-pyridazine-3,6-dione
SMILESCCCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-7-11-9(13)6-5-8(12)10-11/h5-6H,2-4,7H2,1H3,(H,10,12)
InChIKeyBISSLGYDSBNTFO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.73
Rot. Bonds4

About 2-pentyl-1H-pyridazine-3,6-dione

2-pentyl-1H-pyridazine-3,6-dione (PubChem CID 70599423) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-pentyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-pentyl-1H-pyridazine-3,6-dione
PubChem CID70599423
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-pentyl-1H-pyridazine-3,6-dione
SMILESCCCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-4-7-11-9(13)6-5-8(12)10-11/h5-6H,2-4,7H2,1H3,(H,10,12)
InChIKeyBISSLGYDSBNTFO-UHFFFAOYSA-N
XLogP0.73
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
N-(Piperidin-1-yl)prop-2-enamide
CID 23034650
1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
CID 587202
2-(2-Carbamoylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 597095
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
1-(4-Bromo-1-butyl)-1,2,3,6-tetrahydro-3,6-pyridazinedione
CID 20469770
2-(2-oxopropyl)-1H-pyridazine-3,6-dione
CID 58815500
1,2-Dihydropyridazine-3,6-dione;1,1-dimethylpiperidin-1-ium
CID 67360795
1-(5-Hydrazinylpentyl)pyrrole-2,5-dione
CID 70639132
N-ethyl-N'-pentylprop-2-enehydrazide
CID 87503677

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-pentyl-1H-pyridazine-3,6-dione (CID 70599423) is 2-pentyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-pentyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-pentyl-1H-pyridazine-3,6-dione is CCCCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-pentyl-1H-pyridazine-3,6-dione?
The InChIKey is BISSLGYDSBNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-4-7-11-9(13)6-5-8(12)10-11/h5-6H,2-4,7H2,1H3,(H,10,12).
What are the key properties of 2-pentyl-1H-pyridazine-3,6-dione?
2-pentyl-1H-pyridazine-3,6-dione has a molecular weight of 182.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 70599423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).