3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile

C18H12N6 — CID 10267667

IUPAC3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2c(-c3ccccc3)nnc3n[nH]c(N)c23)c1
InChIInChI=1S/C18H12N6/c19-10-11-5-4-8-13(9-11)14-15-17(20)22-24-18(15)23-21-16(14)12-6-2-1-3-7-12/h1-9H,(H3,20,22,23,24)
InChIKeySNSHBMAWEIOBBA-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.14
Rot. Bonds2

About 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile

3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile (PubChem CID 10267667) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile
PubChem CID10267667
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile
SMILESN#Cc1cccc(-c2c(-c3ccccc3)nnc3n[nH]c(N)c23)c1
InChIInChI=1S/C18H12N6/c19-10-11-5-4-8-13(9-11)14-15-17(20)22-24-18(15)23-21-16(14)12-6-2-1-3-7-12/h1-9H,(H3,20,22,23,24)
InChIKeySNSHBMAWEIOBBA-UHFFFAOYSA-N
XLogP3.14
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-bis(4-phenylphenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538872
4-[3-amino-4-(4-chlorophenyl)-2H-pyrazolo[3,4-c]pyridazin-5-yl]benzonitrile
CID 10291319
3-(3-amino-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-5-yl)benzonitrile
CID 67042503
4,5-bis(4-aminophenyl)-2H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538883
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
5-methyl-4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 118712699
3-(5,6-diphenylpyrazin-2-yl)benzonitrile
CID 66672885
4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 59735098
3-(2,6-difluorophenyl)benzonitrile
CID 83810039
3-(3,5-difluoro-4-pyridinyl)benzonitrile
CID 142452389
3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
CID 166868424
3-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)benzonitrile
CID 136695460

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile?
The IUPAC name of 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile (CID 10267667) is 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile.
What is the SMILES notation for 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile?
The canonical SMILES for 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile is N#Cc1cccc(-c2c(-c3ccccc3)nnc3n[nH]c(N)c23)c1.
What is the InChIKey of 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile?
The InChIKey is SNSHBMAWEIOBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c19-10-11-5-4-8-13(9-11)14-15-17(20)22-24-18(15)23-21-16(14)12-6-2-1-3-7-12/h1-9H,(H3,20,22,23,24).
What are the key properties of 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile?
3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile has a molecular weight of 312.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-phenyl-2H-pyrazolo[3,4-c]pyridazin-4-yl)benzonitrile is sourced from PubChem (CID 10267667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).