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

C16H12N6 — CID 6539359

IUPACN-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)
InChIKeyLIYXXFOSHNQSRD-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.93
Rot. Bonds3

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

N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539359) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539359
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC NameN-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)
InChIKeyLIYXXFOSHNQSRD-UHFFFAOYSA-N
XLogP2.93
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539359) is N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1.
What is the InChIKey of N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is LIYXXFOSHNQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21).
What are the key properties of N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).