6-(dibenzylamino)pyridazine-3-carboxylic acid

C19H17N3O2 — CID 127018558

IUPAC6-(dibenzylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)nn1
InChIInChI=1S/C19H17N3O2/c23-19(24)17-11-12-18(21-20-17)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,24)
InChIKeyQDTXUEOJNSCQJC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.38
Rot. Bonds6

About 6-(dibenzylamino)pyridazine-3-carboxylic acid

6-(dibenzylamino)pyridazine-3-carboxylic acid (PubChem CID 127018558) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-(dibenzylamino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(dibenzylamino)pyridazine-3-carboxylic acid
PubChem CID127018558
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name6-(dibenzylamino)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)nn1
InChIInChI=1S/C19H17N3O2/c23-19(24)17-11-12-18(21-20-17)22(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,23,24)
InChIKeyQDTXUEOJNSCQJC-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

5-(dibenzylamino)pyrazine-2-carboxamide
CID 69290218
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
[6-[benzyl(ethyl)amino]pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109120502
6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114288
6-(dibenzylamino)pyridazine-4-carboxylic acid
CID 131034527
6-(dimethylamino)pyridazine-3-carboxylic acid;hydrochloride
CID 91623623
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
6-[benzyl(2-hydroxyethyl)amino]pyrazine-2-carboxylic acid
CID 66450502
6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
CID 82956314
6-[3-(diethylamino)propyl-ethylamino]pyridazine-3-carboxylic acid
CID 102994003
6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54990351
6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54985072

Frequently Asked Questions

What is the IUPAC name of 6-(dibenzylamino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(dibenzylamino)pyridazine-3-carboxylic acid (CID 127018558) is 6-(dibenzylamino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(dibenzylamino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(dibenzylamino)pyridazine-3-carboxylic acid is O=C(O)c1ccc(N(Cc2ccccc2)Cc2ccccc2)nn1.
What is the InChIKey of 6-(dibenzylamino)pyridazine-3-carboxylic acid?
The InChIKey is QDTXUEOJNSCQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(24)17-11-12-18(21-20-17)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-3-carboxylic acid?
6-(dibenzylamino)pyridazine-3-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-3-carboxylic acid is sourced from PubChem (CID 127018558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).