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

C17H14N6 — CID 6539360

IUPACN-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
InChIKeyXYEFJKRTJUALOK-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.95
Rot. Bonds3

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

N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539360) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539360
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC NameN-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCN(c1ccccc1)c1nccc(-c2cnn3ncccc23)n1
InChIInChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
InChIKeyXYEFJKRTJUALOK-UHFFFAOYSA-N
XLogP2.95
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539360) is N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is CN(c1ccccc1)c1nccc(-c2cnn3ncccc23)n1.
What is the InChIKey of N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is XYEFJKRTJUALOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3.
What are the key properties of N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).