3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

C9H9N7O — CID 141011511

IUPAC3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nnc2cccnn12
InChIInChI=1S/C9H9N7O/c1-15-8(10-6-12-15)5-17-9-14-13-7-3-2-4-11-16(7)9/h2-4,6H,5H2,1H3
InChIKeyUQIMKGLDWMYGKQ-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.17
Rot. Bonds3

About 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 141011511) has the molecular formula C9H9N7O and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID141011511
Molecular FormulaC9H9N7O
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nnc2cccnn12
InChIInChI=1S/C9H9N7O/c1-15-8(10-6-12-15)5-17-9-14-13-7-3-2-4-11-16(7)9/h2-4,6H,5H2,1H3
InChIKeyUQIMKGLDWMYGKQ-UHFFFAOYSA-N
XLogP-0.17
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 141011511) is 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is Cn1ncnc1COc1nnc2cccnn12.
What is the InChIKey of 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UQIMKGLDWMYGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O/c1-15-8(10-6-12-15)5-17-9-14-13-7-3-2-4-11-16(7)9/h2-4,6H,5H2,1H3.
What are the key properties of 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 231.22 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 141011511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).