3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile

C19H13N5 — CID 155513139

IUPAC3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile
SMILESN#Cc1cccc(Nc2cccc(-c3cnn4ncccc34)c2)c1
InChIInChI=1S/C19H13N5/c20-12-14-4-1-6-16(10-14)23-17-7-2-5-15(11-17)18-13-22-24-19(18)8-3-9-21-24/h1-11,13,23H
InChIKeyRYYFRPLGEOLZKY-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.01
Rot. Bonds3

About 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile

3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile (PubChem CID 155513139) has the molecular formula C19H13N5 and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile.

Molecular Properties

Compound Name3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile
PubChem CID155513139
Molecular FormulaC19H13N5
Molecular Weight311.35 g/mol
Exact Mass311.12
IUPAC Name3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile
SMILESN#Cc1cccc(Nc2cccc(-c3cnn4ncccc34)c2)c1
InChIInChI=1S/C19H13N5/c20-12-14-4-1-6-16(10-14)23-17-7-2-5-15(11-17)18-13-22-24-19(18)8-3-9-21-24/h1-11,13,23H
InChIKeyRYYFRPLGEOLZKY-UHFFFAOYSA-N
XLogP4.01
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile?
The IUPAC name of 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile (CID 155513139) is 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile.
What is the SMILES notation for 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile?
The canonical SMILES for 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile is N#Cc1cccc(Nc2cccc(-c3cnn4ncccc34)c2)c1.
What is the InChIKey of 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile?
The InChIKey is RYYFRPLGEOLZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5/c20-12-14-4-1-6-16(10-14)23-17-7-2-5-15(11-17)18-13-22-24-19(18)8-3-9-21-24/h1-11,13,23H.
What are the key properties of 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile?
3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile has a molecular weight of 311.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrazolo[1,5-b]pyridazin-3-ylanilino)benzonitrile is sourced from PubChem (CID 155513139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).