1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine

C16H13N7 — CID 25336540

IUPAC1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine
SMILESc1ccc(Nc2cccc(Nc3ccc4nnnn4n3)c2)cc1
InChIInChI=1S/C16H13N7/c1-2-5-12(6-3-1)17-13-7-4-8-14(11-13)18-15-9-10-16-19-21-22-23(16)20-15/h1-11,17H,(H,18,20)
InChIKeyXEBKFHQOGIJJLX-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.01
Rot. Bonds4

About 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine

1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine (PubChem CID 25336540) has the molecular formula C16H13N7 and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine
PubChem CID25336540
Molecular FormulaC16H13N7
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine
SMILESc1ccc(Nc2cccc(Nc3ccc4nnnn4n3)c2)cc1
InChIInChI=1S/C16H13N7/c1-2-5-12(6-3-1)17-13-7-4-8-14(11-13)18-15-9-10-16-19-21-22-23(16)20-15/h1-11,17H,(H,18,20)
InChIKeyXEBKFHQOGIJJLX-UHFFFAOYSA-N
XLogP3.01
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine?
The IUPAC name of 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine (CID 25336540) is 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine?
The canonical SMILES for 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine is c1ccc(Nc2cccc(Nc3ccc4nnnn4n3)c2)cc1.
What is the InChIKey of 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine?
The InChIKey is XEBKFHQOGIJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7/c1-2-5-12(6-3-1)17-13-7-4-8-14(11-13)18-15-9-10-16-19-21-22-23(16)20-15/h1-11,17H,(H,18,20).
What are the key properties of 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine?
1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine has a molecular weight of 303.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-3-N-(tetrazolo[1,5-b]pyridazin-6-yl)benzene-1,3-diamine is sourced from PubChem (CID 25336540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).