3-(methoxymethyl)-6-propan-2-ylpyridazine

C9H14N2O — CID 176846779

IUPAC3-(methoxymethyl)-6-propan-2-ylpyridazine
SMILESCOCc1ccc(C(C)C)nn1
InChIInChI=1S/C9H14N2O/c1-7(2)9-5-4-8(6-12-3)10-11-9/h4-5,7H,6H2,1-3H3
InChIKeyGYSJXFNVIJUTPS-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds3

About 3-(methoxymethyl)-6-propan-2-ylpyridazine

3-(methoxymethyl)-6-propan-2-ylpyridazine (PubChem CID 176846779) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-(methoxymethyl)-6-propan-2-ylpyridazine
PubChem CID176846779
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-(methoxymethyl)-6-propan-2-ylpyridazine
SMILESCOCc1ccc(C(C)C)nn1
InChIInChI=1S/C9H14N2O/c1-7(2)9-5-4-8(6-12-3)10-11-9/h4-5,7H,6H2,1-3H3
InChIKeyGYSJXFNVIJUTPS-UHFFFAOYSA-N
XLogP1.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-propan-2-ylpyridazine?
The IUPAC name of 3-(methoxymethyl)-6-propan-2-ylpyridazine (CID 176846779) is 3-(methoxymethyl)-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-(methoxymethyl)-6-propan-2-ylpyridazine?
The canonical SMILES for 3-(methoxymethyl)-6-propan-2-ylpyridazine is COCc1ccc(C(C)C)nn1.
What is the InChIKey of 3-(methoxymethyl)-6-propan-2-ylpyridazine?
The InChIKey is GYSJXFNVIJUTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)9-5-4-8(6-12-3)10-11-9/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-6-propan-2-ylpyridazine?
3-(methoxymethyl)-6-propan-2-ylpyridazine has a molecular weight of 166.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-propan-2-ylpyridazine is sourced from PubChem (CID 176846779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).