N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C11H10N6 — CID 138454303

IUPACN-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCNc1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C11H10N6/c1-12-11-13-6-4-9(16-11)8-7-15-17-10(8)3-2-5-14-17/h2-7H,1H3,(H,12,13,16)
InChIKeyAXNJRTBQYGIJON-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.23
Rot. Bonds2

About N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 138454303) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID138454303
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC NameN-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCNc1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C11H10N6/c1-12-11-13-6-4-9(16-11)8-7-15-17-10(8)3-2-5-14-17/h2-7H,1H3,(H,12,13,16)
InChIKeyAXNJRTBQYGIJON-UHFFFAOYSA-N
XLogP1.23
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 138454303) is N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is CNc1nccc(-c2cnn3ncccc23)n1.
What is the InChIKey of N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is AXNJRTBQYGIJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c1-12-11-13-6-4-9(16-11)8-7-15-17-10(8)3-2-5-14-17/h2-7H,1H3,(H,12,13,16).
What are the key properties of N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 226.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 138454303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).