(3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol

C11H17N3O2 — CID 164643455

IUPAC(3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCOc1ccc(CN2CC[C@](C)(O)C2)nn1
InChIInChI=1S/C11H17N3O2/c1-11(15)5-6-14(8-11)7-9-3-4-10(16-2)13-12-9/h3-4,15H,5-8H2,1-2H3/t11-/m0/s1
InChIKeyJUWULKNGDUPIHJ-NSHDSACASA-N
MW223.28 g/mol
LogP0.44
Rot. Bonds3

About (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol

(3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 164643455) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID164643455
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol
SMILESCOc1ccc(CN2CC[C@](C)(O)C2)nn1
InChIInChI=1S/C11H17N3O2/c1-11(15)5-6-14(8-11)7-9-3-4-10(16-2)13-12-9/h3-4,15H,5-8H2,1-2H3/t11-/m0/s1
InChIKeyJUWULKNGDUPIHJ-NSHDSACASA-N
XLogP0.44
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol (CID 164643455) is (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol is COc1ccc(CN2CC[C@](C)(O)C2)nn1.
What is the InChIKey of (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is JUWULKNGDUPIHJ-NSHDSACASA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(15)5-6-14(8-11)7-9-3-4-10(16-2)13-12-9/h3-4,15H,5-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol?
(3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 223.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(6-methoxypyridazin-3-yl)methyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 164643455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).