3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid

C22H21N7O2 — CID 15657922

IUPAC3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nnccc1C(=O)O
InChIInChI=1S/C22H21N7O2/c1-2-13-29(21-19(22(30)31)11-12-23-26-21)14-15-7-9-16(10-8-15)17-5-3-4-6-18(17)20-24-27-28-25-20/h3-12H,2,13-14H2,1H3,(H,30,31)(H,24,25,27,28)
InChIKeyCRXQSKPJSRFBDS-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.44
Rot. Bonds8

About 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid

3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid (PubChem CID 15657922) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid
PubChem CID15657922
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nnccc1C(=O)O
InChIInChI=1S/C22H21N7O2/c1-2-13-29(21-19(22(30)31)11-12-23-26-21)14-15-7-9-16(10-8-15)17-5-3-4-6-18(17)20-24-27-28-25-20/h3-12H,2,13-14H2,1H3,(H,30,31)(H,24,25,27,28)
InChIKeyCRXQSKPJSRFBDS-UHFFFAOYSA-N
XLogP3.44
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid (CID 15657922) is 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nnccc1C(=O)O.
What is the InChIKey of 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid?
The InChIKey is CRXQSKPJSRFBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-2-13-29(21-19(22(30)31)11-12-23-26-21)14-15-7-9-16(10-8-15)17-5-3-4-6-18(17)20-24-27-28-25-20/h3-12H,2,13-14H2,1H3,(H,30,31)(H,24,25,27,28).
What are the key properties of 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid?
3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid has a molecular weight of 415.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 15657922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).