N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C17H14N6 — CID 86226748

IUPACN-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C17H14N6/c1-12-4-2-5-13(10-12)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)
InChIKeyCKXYWSOZFJIUNP-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.24
Rot. Bonds3

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

N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 86226748) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID86226748
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC NameN-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C17H14N6/c1-12-4-2-5-13(10-12)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)
InChIKeyCKXYWSOZFJIUNP-UHFFFAOYSA-N
XLogP3.24
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 86226748) is N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is CKXYWSOZFJIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-12-4-2-5-13(10-12)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22).
What are the key properties of N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 86226748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).