3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline

C10H7ClN6O — CID 78984539

IUPAC3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline
SMILESNc1ccc(Oc2ccc3nnnn3n2)c(Cl)c1
InChIInChI=1S/C10H7ClN6O/c11-7-5-6(12)1-2-8(7)18-10-4-3-9-13-15-16-17(9)14-10/h1-5H,12H2
InChIKeyAUFWEGHTGXNXFE-UHFFFAOYSA-N
MW262.66 g/mol
LogP1.55
Rot. Bonds2

About 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline

3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline (PubChem CID 78984539) has the molecular formula C10H7ClN6O and a molecular weight of 262.66 g/mol. Its IUPAC name is 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline
PubChem CID78984539
Molecular FormulaC10H7ClN6O
Molecular Weight262.66 g/mol
Exact Mass262.04
IUPAC Name3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline
SMILESNc1ccc(Oc2ccc3nnnn3n2)c(Cl)c1
InChIInChI=1S/C10H7ClN6O/c11-7-5-6(12)1-2-8(7)18-10-4-3-9-13-15-16-17(9)14-10/h1-5H,12H2
InChIKeyAUFWEGHTGXNXFE-UHFFFAOYSA-N
XLogP1.55
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline?
The IUPAC name of 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline (CID 78984539) is 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline.
What is the SMILES notation for 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline?
The canonical SMILES for 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline is Nc1ccc(Oc2ccc3nnnn3n2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline?
The InChIKey is AUFWEGHTGXNXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6O/c11-7-5-6(12)1-2-8(7)18-10-4-3-9-13-15-16-17(9)14-10/h1-5H,12H2.
What are the key properties of 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline?
3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline has a molecular weight of 262.66 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(tetrazolo[1,5-b]pyridazin-6-yloxy)aniline is sourced from PubChem (CID 78984539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).