3-methoxy-6-pyrrolidin-2-ylpyridazine

C9H13N3O — CID 117105794

IUPAC3-methoxy-6-pyrrolidin-2-ylpyridazine
SMILESCOc1ccc(C2CCCN2)nn1
InChIInChI=1S/C9H13N3O/c1-13-9-5-4-8(11-12-9)7-3-2-6-10-7/h4-5,7,10H,2-3,6H2,1H3
InChIKeyVYVPFZTWEGGDSR-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.91
Rot. Bonds2

About 3-methoxy-6-pyrrolidin-2-ylpyridazine

3-methoxy-6-pyrrolidin-2-ylpyridazine (PubChem CID 117105794) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methoxy-6-pyrrolidin-2-ylpyridazine.

Molecular Properties

Compound Name3-methoxy-6-pyrrolidin-2-ylpyridazine
PubChem CID117105794
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-methoxy-6-pyrrolidin-2-ylpyridazine
SMILESCOc1ccc(C2CCCN2)nn1
InChIInChI=1S/C9H13N3O/c1-13-9-5-4-8(11-12-9)7-3-2-6-10-7/h4-5,7,10H,2-3,6H2,1H3
InChIKeyVYVPFZTWEGGDSR-UHFFFAOYSA-N
XLogP0.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55273653
6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride
CID 138987947
3-methoxy-6-piperidin-2-yl-1,2,4-triazine
CID 130118096
3-methoxy-6-(thiolan-2-yl)pyridazine
CID 117105790
4-methoxy-6-piperidin-2-ylpyrimidine
CID 82656666
2-methoxy-3-methyl-6-piperidin-2-ylpyridine
CID 84674495
6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84696751
5-bromo-2-pyrrolidin-2-ylpyridine
CID 67294409
6-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55275999
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524
5-ethyl-2-pyrrolidin-2-ylpyridine
CID 89167891
1-(2-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941589

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-pyrrolidin-2-ylpyridazine?
The IUPAC name of 3-methoxy-6-pyrrolidin-2-ylpyridazine (CID 117105794) is 3-methoxy-6-pyrrolidin-2-ylpyridazine.
What is the SMILES notation for 3-methoxy-6-pyrrolidin-2-ylpyridazine?
The canonical SMILES for 3-methoxy-6-pyrrolidin-2-ylpyridazine is COc1ccc(C2CCCN2)nn1.
What is the InChIKey of 3-methoxy-6-pyrrolidin-2-ylpyridazine?
The InChIKey is VYVPFZTWEGGDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-9-5-4-8(11-12-9)7-3-2-6-10-7/h4-5,7,10H,2-3,6H2,1H3.
What are the key properties of 3-methoxy-6-pyrrolidin-2-ylpyridazine?
3-methoxy-6-pyrrolidin-2-ylpyridazine has a molecular weight of 179.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-pyrrolidin-2-ylpyridazine is sourced from PubChem (CID 117105794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).