2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile

C12H11N5 — CID 106894766

IUPAC2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile
SMILESN#Cc1cccc(NCc2cccnn2)c1N
InChIInChI=1S/C12H11N5/c13-7-9-3-1-5-11(12(9)14)15-8-10-4-2-6-16-17-10/h1-6,15H,8,14H2
InChIKeyHBZURAJAIGGDIE-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.54
Rot. Bonds3

About 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile

2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile (PubChem CID 106894766) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile
PubChem CID106894766
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile
SMILESN#Cc1cccc(NCc2cccnn2)c1N
InChIInChI=1S/C12H11N5/c13-7-9-3-1-5-11(12(9)14)15-8-10-4-2-6-16-17-10/h1-6,15H,8,14H2
InChIKeyHBZURAJAIGGDIE-UHFFFAOYSA-N
XLogP1.54
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
CID 106894773
2-amino-3-[(4-bromophenyl)methylamino]benzonitrile
CID 104716264
ethyl 2-amino-3-(pyridazin-3-ylmethylamino)benzoate
CID 106897550
2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile
CID 106832844
3-(2-amino-3-cyanoanilino)propanamide
CID 104716331
2-amino-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 104716748
2-amino-3-[(4-propan-2-ylphenyl)methylamino]benzonitrile
CID 104716595
2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894891
2-amino-3-[(4-fluoro-3,5-dimethylphenyl)methylamino]benzonitrile
CID 104716936
2-amino-3-(2-pyrazol-1-ylethylamino)benzonitrile
CID 113444705
2-amino-3-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 104716690
2-amino-3-[(2-methoxyphenyl)methylamino]benzonitrile
CID 104716155

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile?
The IUPAC name of 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile (CID 106894766) is 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile?
The canonical SMILES for 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile is N#Cc1cccc(NCc2cccnn2)c1N.
What is the InChIKey of 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile?
The InChIKey is HBZURAJAIGGDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-7-9-3-1-5-11(12(9)14)15-8-10-4-2-6-16-17-10/h1-6,15H,8,14H2.
What are the key properties of 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile?
2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile is sourced from PubChem (CID 106894766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).