2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile

C12H9ClN4 — CID 106832844

IUPAC2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile
SMILESN#Cc1ccc(NCc2cccnn2)cc1Cl
InChIInChI=1S/C12H9ClN4/c13-12-6-10(4-3-9(12)7-14)15-8-11-2-1-5-16-17-11/h1-6,15H,8H2
InChIKeyUDLKMGOCHPGJMJ-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.61
Rot. Bonds3

About 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile

2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile (PubChem CID 106832844) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile
PubChem CID106832844
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile
SMILESN#Cc1ccc(NCc2cccnn2)cc1Cl
InChIInChI=1S/C12H9ClN4/c13-12-6-10(4-3-9(12)7-14)15-8-11-2-1-5-16-17-11/h1-6,15H,8H2
InChIKeyUDLKMGOCHPGJMJ-UHFFFAOYSA-N
XLogP2.61
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(1-methylpyrazol-3-yl)methylamino]benzonitrile
CID 82865972
2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
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2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile
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2-chloro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]benzonitrile
CID 114015314
2-methyl-4-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894769
2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 115658600
2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile
CID 106894766
2-chloro-4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzonitrile
CID 55114875
2-chloro-4-[(2,4,6-trimethylphenyl)methylamino]benzonitrile
CID 43348060
2-chloro-4-[(3-chloro-4-methylphenyl)methylamino]benzonitrile
CID 106816229
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzonitrile
CID 83235729
2-chloro-4-[(5-methyl-3-pyridinyl)methylamino]benzonitrile
CID 113341163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile?
The IUPAC name of 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile (CID 106832844) is 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile.
What is the SMILES notation for 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile?
The canonical SMILES for 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile is N#Cc1ccc(NCc2cccnn2)cc1Cl.
What is the InChIKey of 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile?
The InChIKey is UDLKMGOCHPGJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-12-6-10(4-3-9(12)7-14)15-8-11-2-1-5-16-17-11/h1-6,15H,8H2.
What are the key properties of 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile?
2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile has a molecular weight of 244.69 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile is sourced from PubChem (CID 106832844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).