3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine

C9H13N3O — CID 71638804

IUPAC3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(O[C@H]2CCNC2)nn1
InChIInChI=1S/C9H13N3O/c1-7-2-3-9(12-11-7)13-8-4-5-10-6-8/h2-3,8,10H,4-6H2,1H3/t8-/m0/s1
InChIKeyLPYIKVHKTQVGQU-QMMMGPOBSA-N
MW179.22 g/mol
LogP0.53
Rot. Bonds2

About 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine

3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine (PubChem CID 71638804) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine
PubChem CID71638804
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(O[C@H]2CCNC2)nn1
InChIInChI=1S/C9H13N3O/c1-7-2-3-9(12-11-7)13-8-4-5-10-6-8/h2-3,8,10H,4-6H2,1H3/t8-/m0/s1
InChIKeyLPYIKVHKTQVGQU-QMMMGPOBSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine (CID 71638804) is 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine is Cc1ccc(O[C@H]2CCNC2)nn1.
What is the InChIKey of 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine?
The InChIKey is LPYIKVHKTQVGQU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-2-3-9(12-11-7)13-8-4-5-10-6-8/h2-3,8,10H,4-6H2,1H3/t8-/m0/s1.
What are the key properties of 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine?
3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine has a molecular weight of 179.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(3S)-pyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 71638804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).