5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine

C13H16N4O — CID 59522828

IUPAC5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine
SMILESCOc1ncc([C@@H]2CCCN2C)c2nnccc12
InChIInChI=1S/C13H16N4O/c1-17-7-3-4-11(17)10-8-14-13(18-2)9-5-6-15-16-12(9)10/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyOWBREFHZHFQKIT-NSHDSACASA-N
MW244.30 g/mol
LogP1.80
Rot. Bonds2

About 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine

5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine (PubChem CID 59522828) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine.

Molecular Properties

Compound Name5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine
PubChem CID59522828
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine
SMILESCOc1ncc([C@@H]2CCCN2C)c2nnccc12
InChIInChI=1S/C13H16N4O/c1-17-7-3-4-11(17)10-8-14-13(18-2)9-5-6-15-16-12(9)10/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m0/s1
InChIKeyOWBREFHZHFQKIT-NSHDSACASA-N
XLogP1.80
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine?
The IUPAC name of 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine (CID 59522828) is 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine.
What is the SMILES notation for 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine?
The canonical SMILES for 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine is COc1ncc([C@@H]2CCCN2C)c2nnccc12.
What is the InChIKey of 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine?
The InChIKey is OWBREFHZHFQKIT-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-7-3-4-11(17)10-8-14-13(18-2)9-5-6-15-16-12(9)10/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m0/s1.
What are the key properties of 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine?
5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine has a molecular weight of 244.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-[(2S)-1-methylpyrrolidin-2-yl]pyrido[4,3-c]pyridazine is sourced from PubChem (CID 59522828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).