6-(dibenzylamino)pyridazine-4-carboxylic acid

C19H17N3O2 — CID 131034527

IUPAC6-(dibenzylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnnc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C19H17N3O2/c23-19(24)17-11-18(21-20-12-17)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,24)
InChIKeyOSCIKSFGOLDFHJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.38
Rot. Bonds6

About 6-(dibenzylamino)pyridazine-4-carboxylic acid

6-(dibenzylamino)pyridazine-4-carboxylic acid (PubChem CID 131034527) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-(dibenzylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-(dibenzylamino)pyridazine-4-carboxylic acid
PubChem CID131034527
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name6-(dibenzylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnnc(N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C19H17N3O2/c23-19(24)17-11-18(21-20-12-17)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,24)
InChIKeyOSCIKSFGOLDFHJ-UHFFFAOYSA-N
XLogP3.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
5-(dibenzylamino)pyrazine-2-carboxamide
CID 69290218
6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84610251
3,5-dichloro-4-(dibenzylamino)benzoic acid
CID 59152637
N-benzyl-N-(2-bromoethyl)-5-methylpyridazin-3-amine
CID 106550689
N-benzyl-N-(2-chloroethyl)-5-methylpyridazin-3-amine
CID 106550604
2-[benzyl(methyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43343644
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 66450502
6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84604433
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
2-[(3-aminophenyl)methyl-(5-methylpyridazin-3-yl)amino]acetamide
CID 106550306

Frequently Asked Questions

What is the IUPAC name of 6-(dibenzylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 6-(dibenzylamino)pyridazine-4-carboxylic acid (CID 131034527) is 6-(dibenzylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-(dibenzylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 6-(dibenzylamino)pyridazine-4-carboxylic acid is O=C(O)c1cnnc(N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 6-(dibenzylamino)pyridazine-4-carboxylic acid?
The InChIKey is OSCIKSFGOLDFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(24)17-11-18(21-20-12-17)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,24).
What are the key properties of 6-(dibenzylamino)pyridazine-4-carboxylic acid?
6-(dibenzylamino)pyridazine-4-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibenzylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 131034527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).