N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine

C16H11ClN6O — CID 17470449

IUPACN-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESClc1ccccc1Oc1ccc(Nc2ccc3nnnn3n2)cc1
InChIInChI=1S/C16H11ClN6O/c17-13-3-1-2-4-14(13)24-12-7-5-11(6-8-12)18-15-9-10-16-19-21-22-23(16)20-15/h1-10H,(H,18,20)
InChIKeyGCGAXDIWAKGGGH-UHFFFAOYSA-N
MW338.76 g/mol
LogP3.71
Rot. Bonds4

About N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 17470449) has the molecular formula C16H11ClN6O and a molecular weight of 338.76 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID17470449
Molecular FormulaC16H11ClN6O
Molecular Weight338.76 g/mol
Exact Mass338.07
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESClc1ccccc1Oc1ccc(Nc2ccc3nnnn3n2)cc1
InChIInChI=1S/C16H11ClN6O/c17-13-3-1-2-4-14(13)24-12-7-5-11(6-8-12)18-15-9-10-16-19-21-22-23(16)20-15/h1-10H,(H,18,20)
InChIKeyGCGAXDIWAKGGGH-UHFFFAOYSA-N
XLogP3.71
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine 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 N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 17470449) is N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine is Clc1ccccc1Oc1ccc(Nc2ccc3nnnn3n2)cc1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is GCGAXDIWAKGGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O/c17-13-3-1-2-4-14(13)24-12-7-5-11(6-8-12)18-15-9-10-16-19-21-22-23(16)20-15/h1-10H,(H,18,20).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 338.76 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 17470449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).