1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine

C17H14ClN7 — CID 52787476

IUPAC1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine
SMILESClc1cc(Nc2ccc3nnnn3n2)ccc1NCc1ccccc1
InChIInChI=1S/C17H14ClN7/c18-14-10-13(20-16-8-9-17-21-23-24-25(17)22-16)6-7-15(14)19-11-12-4-2-1-3-5-12/h1-10,19H,11H2,(H,20,22)
InChIKeyOZUJXFRGINDEMB-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.53
Rot. Bonds5

About 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine

1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine (PubChem CID 52787476) has the molecular formula C17H14ClN7 and a molecular weight of 351.80 g/mol. Its IUPAC name is 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine
PubChem CID52787476
Molecular FormulaC17H14ClN7
Molecular Weight351.80 g/mol
Exact Mass351.10
IUPAC Name1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine
SMILESClc1cc(Nc2ccc3nnnn3n2)ccc1NCc1ccccc1
InChIInChI=1S/C17H14ClN7/c18-14-10-13(20-16-8-9-17-21-23-24-25(17)22-16)6-7-15(14)19-11-12-4-2-1-3-5-12/h1-10,19H,11H2,(H,20,22)
InChIKeyOZUJXFRGINDEMB-UHFFFAOYSA-N
XLogP3.53
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine 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 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine (CID 52787476) is 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine is Clc1cc(Nc2ccc3nnnn3n2)ccc1NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine?
The InChIKey is OZUJXFRGINDEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7/c18-14-10-13(20-16-8-9-17-21-23-24-25(17)22-16)6-7-15(14)19-11-12-4-2-1-3-5-12/h1-10,19H,11H2,(H,20,22).
What are the key properties of 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine?
1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine has a molecular weight of 351.80 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-chloro-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,4-diamine is sourced from PubChem (CID 52787476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).