6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine

C12H12N6O — CID 177329391

IUPAC6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine
SMILESCc1cc(COc2ccc3nnnn3n2)cc(C)n1
InChIInChI=1S/C12H12N6O/c1-8-5-10(6-9(2)13-8)7-19-12-4-3-11-14-16-17-18(11)15-12/h3-6H,7H2,1-2H3
InChIKeyUXOQGXPRZYAEGT-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.11
Rot. Bonds3

About 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine

6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine (PubChem CID 177329391) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine
PubChem CID177329391
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine
SMILESCc1cc(COc2ccc3nnnn3n2)cc(C)n1
InChIInChI=1S/C12H12N6O/c1-8-5-10(6-9(2)13-8)7-19-12-4-3-11-14-16-17-18(11)15-12/h3-6H,7H2,1-2H3
InChIKeyUXOQGXPRZYAEGT-UHFFFAOYSA-N
XLogP1.11
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine (CID 177329391) is 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine is Cc1cc(COc2ccc3nnnn3n2)cc(C)n1.
What is the InChIKey of 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine?
The InChIKey is UXOQGXPRZYAEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-8-5-10(6-9(2)13-8)7-19-12-4-3-11-14-16-17-18(11)15-12/h3-6H,7H2,1-2H3.
What are the key properties of 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine?
6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine has a molecular weight of 256.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethyl-4-pyridinyl)methoxy]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 177329391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).