3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine

C15H16N6 — CID 164610228

IUPAC3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
SMILESCC1CCN(c2nccc(-c3cnn4ncccc34)n2)C1
InChIInChI=1S/C15H16N6/c1-11-5-8-20(10-11)15-16-7-4-13(19-15)12-9-18-21-14(12)3-2-6-17-21/h2-4,6-7,9,11H,5,8,10H2,1H3
InChIKeyKXADAXCTIOUNBQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds2

About 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine

3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine (PubChem CID 164610228) has the molecular formula C15H16N6 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
PubChem CID164610228
Molecular FormulaC15H16N6
Molecular Weight280.33 g/mol
Exact Mass280.14
IUPAC Name3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
SMILESCC1CCN(c2nccc(-c3cnn4ncccc34)n2)C1
InChIInChI=1S/C15H16N6/c1-11-5-8-20(10-11)15-16-7-4-13(19-15)12-9-18-21-14(12)3-2-6-17-21/h2-4,6-7,9,11H,5,8,10H2,1H3
InChIKeyKXADAXCTIOUNBQ-UHFFFAOYSA-N
XLogP2.03
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine?
The IUPAC name of 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine (CID 164610228) is 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine.
What is the SMILES notation for 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine?
The canonical SMILES for 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine is CC1CCN(c2nccc(-c3cnn4ncccc34)n2)C1.
What is the InChIKey of 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine?
The InChIKey is KXADAXCTIOUNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-5-8-20(10-11)15-16-7-4-13(19-15)12-9-18-21-14(12)3-2-6-17-21/h2-4,6-7,9,11H,5,8,10H2,1H3.
What are the key properties of 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine?
3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylpyrrolidin-1-yl)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine is sourced from PubChem (CID 164610228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).