6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine

C14H15N7 — CID 685555

IUPAC6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
SMILESc1ccc(N2CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C14H15N7/c1-2-4-12(5-3-1)19-8-10-20(11-9-19)14-7-6-13-15-17-18-21(13)16-14/h1-7H,8-11H2
InChIKeyNKXHQCFRKQCOPY-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.85
Rot. Bonds2

About 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine

6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine (PubChem CID 685555) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
PubChem CID685555
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
SMILESc1ccc(N2CCN(c3ccc4nnnn4n3)CC2)cc1
InChIInChI=1S/C14H15N7/c1-2-4-12(5-3-1)19-8-10-20(11-9-19)14-7-6-13-15-17-18-21(13)16-14/h1-7H,8-11H2
InChIKeyNKXHQCFRKQCOPY-UHFFFAOYSA-N
XLogP0.85
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine (CID 685555) is 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine is c1ccc(N2CCN(c3ccc4nnnn4n3)CC2)cc1.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine?
The InChIKey is NKXHQCFRKQCOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-2-4-12(5-3-1)19-8-10-20(11-9-19)14-7-6-13-15-17-18-21(13)16-14/h1-7H,8-11H2.
What are the key properties of 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine?
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine has a molecular weight of 281.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 685555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).