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

C7H10N2O2 — CID 39848286

IUPAC2-propyl-1H-pyridazine-3,6-dione
SMILESCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N2O2/c1-2-5-9-7(11)4-3-6(10)8-9/h3-4H,2,5H2,1H3,(H,8,10)
InChIKeyCXSVZLMHGDTLTL-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.05
Rot. Bonds2

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

2-propyl-1H-pyridazine-3,6-dione (PubChem CID 39848286) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-propyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-propyl-1H-pyridazine-3,6-dione
PubChem CID39848286
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-propyl-1H-pyridazine-3,6-dione
SMILESCCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C7H10N2O2/c1-2-5-9-7(11)4-3-6(10)8-9/h3-4H,2,5H2,1H3,(H,8,10)
InChIKeyCXSVZLMHGDTLTL-UHFFFAOYSA-N
XLogP-0.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxy-1-methylpyridazin-6(1H)-one
CID 95157
3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile
CID 580599
2-(2-Formylethyl)-2,3-dihydro-6-hydroxy-3-oxopyridazine
CID 366143
3-(3,6-dioxo-1H-pyridazin-2-yl)propanethioamide
CID 12787568
1-Butyl-1,2-dihydro-3,6-pyridazinedione
CID 246498
1-(2-Bromoethyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 24688547
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
3,6-Pyridazinedione, 1-acetyl-1,2-dihydro-
CID 146190
2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione
CID 138715541
1-(3-Oxobutyl)-1,2-dihydropyridazine-3,6-dione
CID 587202
Bis(aminoethylamino) ethyl maleamide
CID 129826976
Einecs 253-082-7
CID 21278031

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-propyl-1H-pyridazine-3,6-dione (CID 39848286) is 2-propyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-propyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-propyl-1H-pyridazine-3,6-dione is CCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-propyl-1H-pyridazine-3,6-dione?
The InChIKey is CXSVZLMHGDTLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-5-9-7(11)4-3-6(10)8-9/h3-4H,2,5H2,1H3,(H,8,10).
What are the key properties of 2-propyl-1H-pyridazine-3,6-dione?
2-propyl-1H-pyridazine-3,6-dione has a molecular weight of 154.17 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 39848286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).