3-methoxy-6-propan-2-ylpyridazine

C8H12N2O — CID 21056976

IUPAC3-methoxy-6-propan-2-ylpyridazine
SMILESCOc1ccc(C(C)C)nn1
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-5-8(11-3)10-9-7/h4-6H,1-3H3
InChIKeyXFLXRMSMWPMCKT-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.61
Rot. Bonds2

About 3-methoxy-6-propan-2-ylpyridazine

3-methoxy-6-propan-2-ylpyridazine (PubChem CID 21056976) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methoxy-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-methoxy-6-propan-2-ylpyridazine
PubChem CID21056976
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methoxy-6-propan-2-ylpyridazine
SMILESCOc1ccc(C(C)C)nn1
InChIInChI=1S/C8H12N2O/c1-6(2)7-4-5-8(11-3)10-9-7/h4-6H,1-3H3
InChIKeyXFLXRMSMWPMCKT-UHFFFAOYSA-N
XLogP1.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-propan-2-ylpyridazine?
The IUPAC name of 3-methoxy-6-propan-2-ylpyridazine (CID 21056976) is 3-methoxy-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-methoxy-6-propan-2-ylpyridazine?
The canonical SMILES for 3-methoxy-6-propan-2-ylpyridazine is COc1ccc(C(C)C)nn1.
What is the InChIKey of 3-methoxy-6-propan-2-ylpyridazine?
The InChIKey is XFLXRMSMWPMCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)7-4-5-8(11-3)10-9-7/h4-6H,1-3H3.
What are the key properties of 3-methoxy-6-propan-2-ylpyridazine?
3-methoxy-6-propan-2-ylpyridazine has a molecular weight of 152.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-propan-2-ylpyridazine is sourced from PubChem (CID 21056976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).