3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one

C13H12N6O — CID 10308171

IUPAC3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one
SMILESO=c1ccc2c(-c3ccnc(NC4CC4)n3)cnn2[nH]1
InChIInChI=1S/C13H12N6O/c20-12-4-3-11-9(7-15-19(11)18-12)10-5-6-14-13(17-10)16-8-1-2-8/h3-8H,1-2H2,(H,18,20)(H,14,16,17)
InChIKeyXKYJKKJKDAGKNZ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.05
Rot. Bonds3

About 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one

3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one (PubChem CID 10308171) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one
PubChem CID10308171
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one
SMILESO=c1ccc2c(-c3ccnc(NC4CC4)n3)cnn2[nH]1
InChIInChI=1S/C13H12N6O/c20-12-4-3-11-9(7-15-19(11)18-12)10-5-6-14-13(17-10)16-8-1-2-8/h3-8H,1-2H2,(H,18,20)(H,14,16,17)
InChIKeyXKYJKKJKDAGKNZ-UHFFFAOYSA-N
XLogP1.05
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one?
The IUPAC name of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one (CID 10308171) is 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one.
What is the SMILES notation for 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one?
The canonical SMILES for 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one is O=c1ccc2c(-c3ccnc(NC4CC4)n3)cnn2[nH]1.
What is the InChIKey of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one?
The InChIKey is XKYJKKJKDAGKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c20-12-4-3-11-9(7-15-19(11)18-12)10-5-6-14-13(17-10)16-8-1-2-8/h3-8H,1-2H2,(H,18,20)(H,14,16,17).
What are the key properties of 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one?
3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one has a molecular weight of 268.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)pyrimidin-4-yl]-7H-pyrazolo[1,5-b]pyridazin-6-one is sourced from PubChem (CID 10308171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).