6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H14N6O — CID 146074575

IUPAC6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(OC2CN(c3ccc4nncn4n3)C2)ccn1
InChIInChI=1S/C14H14N6O/c1-10-6-11(4-5-15-10)21-12-7-19(8-12)14-3-2-13-17-16-9-20(13)18-14/h2-6,9,12H,7-8H2,1H3
InChIKeyIBWOKQKZYZAKSW-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.10
Rot. Bonds3

About 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 146074575) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID146074575
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(OC2CN(c3ccc4nncn4n3)C2)ccn1
InChIInChI=1S/C14H14N6O/c1-10-6-11(4-5-15-10)21-12-7-19(8-12)14-3-2-13-17-16-9-20(13)18-14/h2-6,9,12H,7-8H2,1H3
InChIKeyIBWOKQKZYZAKSW-UHFFFAOYSA-N
XLogP1.10
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 146074575) is 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(OC2CN(c3ccc4nncn4n3)C2)ccn1.
What is the InChIKey of 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IBWOKQKZYZAKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-10-6-11(4-5-15-10)21-12-7-19(8-12)14-3-2-13-17-16-9-20(13)18-14/h2-6,9,12H,7-8H2,1H3.
What are the key properties of 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 282.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 146074575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).