3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine

C14H16N4O — CID 56709307

IUPAC3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine
SMILESCOc1ccc(-c2ccc(N3CCCC3)nn2)cn1
InChIInChI=1S/C14H16N4O/c1-19-14-7-4-11(10-15-14)12-5-6-13(17-16-12)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3
InChIKeyORDZEVKMLZXKGO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.15
Rot. Bonds3

About 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine

3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine (PubChem CID 56709307) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine
PubChem CID56709307
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine
SMILESCOc1ccc(-c2ccc(N3CCCC3)nn2)cn1
InChIInChI=1S/C14H16N4O/c1-19-14-7-4-11(10-15-14)12-5-6-13(17-16-12)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3
InChIKeyORDZEVKMLZXKGO-UHFFFAOYSA-N
XLogP2.15
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine (CID 56709307) is 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine is COc1ccc(-c2ccc(N3CCCC3)nn2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine?
The InChIKey is ORDZEVKMLZXKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-19-14-7-4-11(10-15-14)12-5-6-13(17-16-12)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine?
3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine has a molecular weight of 256.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-6-pyrrolidin-1-ylpyridazine is sourced from PubChem (CID 56709307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).