3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one

C9H10N4O — CID 137146087

IUPAC3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one
SMILESCC(C)c1cc2c(=O)[nH]cnc2nn1
InChIInChI=1S/C9H10N4O/c1-5(2)7-3-6-8(13-12-7)10-4-11-9(6)14/h3-5H,1-2H3,(H,10,11,13,14)
InChIKeyHHEQCECNFQLVSX-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.84
Rot. Bonds1

About 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one

3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one (PubChem CID 137146087) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one.

Molecular Properties

Compound Name3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one
PubChem CID137146087
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one
SMILESCC(C)c1cc2c(=O)[nH]cnc2nn1
InChIInChI=1S/C9H10N4O/c1-5(2)7-3-6-8(13-12-7)10-4-11-9(6)14/h3-5H,1-2H3,(H,10,11,13,14)
InChIKeyHHEQCECNFQLVSX-UHFFFAOYSA-N
XLogP0.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one?
The IUPAC name of 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one (CID 137146087) is 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one.
What is the SMILES notation for 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one?
The canonical SMILES for 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one is CC(C)c1cc2c(=O)[nH]cnc2nn1.
What is the InChIKey of 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one?
The InChIKey is HHEQCECNFQLVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5(2)7-3-6-8(13-12-7)10-4-11-9(6)14/h3-5H,1-2H3,(H,10,11,13,14).
What are the key properties of 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one?
3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one has a molecular weight of 190.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6H-pyrimido[4,5-c]pyridazin-5-one is sourced from PubChem (CID 137146087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).