3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione

C8H10N2O2 — CID 10678637

IUPAC3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione
SMILESCn1[nH]c(=O)c2c(c1=O)CCC2
InChIInChI=1S/C8H10N2O2/c1-10-8(12)6-4-2-3-5(6)7(11)9-10/h2-4H2,1H3,(H,9,11)
InChIKeyOELDZPQYQZCRHK-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.44
Rot. Bonds

About 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione

3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione (PubChem CID 10678637) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione.

Molecular Properties

Compound Name3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione
PubChem CID10678637
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione
SMILESCn1[nH]c(=O)c2c(c1=O)CCC2
InChIInChI=1S/C8H10N2O2/c1-10-8(12)6-4-2-3-5(6)7(11)9-10/h2-4H2,1H3,(H,9,11)
InChIKeyOELDZPQYQZCRHK-UHFFFAOYSA-N
XLogP-0.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 12160753
CID 12160753
CID 13613870
CID 13613870
CID 13613869
CID 13613869
CID 326367
CID 326367
CID 121215715
CID 121215715
CID 21822432
CID 21822432
CID 66022116
CID 66022116
CID 68129033
CID 68129033
CID 70614749
CID 70614749
CID 89318111
CID 89318111
CID 90275129
CID 90275129
CID 105433128
CID 105433128

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione?
The IUPAC name of 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione (CID 10678637) is 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione.
What is the SMILES notation for 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione?
The canonical SMILES for 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione is Cn1[nH]c(=O)c2c(c1=O)CCC2.
What is the InChIKey of 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione?
The InChIKey is OELDZPQYQZCRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-8(12)6-4-2-3-5(6)7(11)9-10/h2-4H2,1H3,(H,9,11).
What are the key properties of 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione?
3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione has a molecular weight of 166.18 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5,6,7-tetrahydrocyclopenta[d]pyridazine-1,4-dione is sourced from PubChem (CID 10678637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).