4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one

C10H14N2O2 — CID 130232048

IUPAC4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one
SMILESCC(C)c1n[nH]c(=O)c2c1COCC2
InChIInChI=1S/C10H14N2O2/c1-6(2)9-8-5-14-4-3-7(8)10(13)12-11-9/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyLLVYNJOECOOKND-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.97
Rot. Bonds1

About 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one

4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one (PubChem CID 130232048) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one
PubChem CID130232048
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one
SMILESCC(C)c1n[nH]c(=O)c2c1COCC2
InChIInChI=1S/C10H14N2O2/c1-6(2)9-8-5-14-4-3-7(8)10(13)12-11-9/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyLLVYNJOECOOKND-UHFFFAOYSA-N
XLogP0.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one?
The IUPAC name of 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one (CID 130232048) is 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one.
What is the SMILES notation for 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one?
The canonical SMILES for 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one is CC(C)c1n[nH]c(=O)c2c1COCC2.
What is the InChIKey of 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one?
The InChIKey is LLVYNJOECOOKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)9-8-5-14-4-3-7(8)10(13)12-11-9/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one?
4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one has a molecular weight of 194.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,5,7,8-tetrahydropyrano[3,4-d]pyridazin-1-one is sourced from PubChem (CID 130232048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).