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

C17H13ClN6 — CID 10125875

IUPACN-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESClc1ccc(CNc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C17H13ClN6/c18-13-5-3-12(4-6-13)10-20-17-19-9-7-15(23-17)14-11-22-24-16(14)2-1-8-21-24/h1-9,11H,10H2,(H,19,20,23)
InChIKeyNEWXQDRWGLAOAY-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.45
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 10125875) has the molecular formula C17H13ClN6 and a molecular weight of 336.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID10125875
Molecular FormulaC17H13ClN6
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESClc1ccc(CNc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C17H13ClN6/c18-13-5-3-12(4-6-13)10-20-17-19-9-7-15(23-17)14-11-22-24-16(14)2-1-8-21-24/h1-9,11H,10H2,(H,19,20,23)
InChIKeyNEWXQDRWGLAOAY-UHFFFAOYSA-N
XLogP3.45
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 10125875) is N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is Clc1ccc(CNc2nccc(-c3cnn4ncccc34)n2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is NEWXQDRWGLAOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6/c18-13-5-3-12(4-6-13)10-20-17-19-9-7-15(23-17)14-11-22-24-16(14)2-1-8-21-24/h1-9,11H,10H2,(H,19,20,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 336.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 10125875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).