(3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol

C9H13N3O — CID 54333694

IUPAC(3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ccnnc2)C[C@@H]1O
InChIInChI=1S/C9H13N3O/c1-7-5-12(6-9(7)13)8-2-3-10-11-4-8/h2-4,7,9,13H,5-6H2,1H3/t7-,9+/m1/s1
InChIKeyFQENAEPTYJJOLE-APPZFPTMSA-N
MW179.22 g/mol
LogP0.29
Rot. Bonds1

About (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol

(3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol (PubChem CID 54333694) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol
PubChem CID54333694
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol
SMILESC[C@@H]1CN(c2ccnnc2)C[C@@H]1O
InChIInChI=1S/C9H13N3O/c1-7-5-12(6-9(7)13)8-2-3-10-11-4-8/h2-4,7,9,13H,5-6H2,1H3/t7-,9+/m1/s1
InChIKeyFQENAEPTYJJOLE-APPZFPTMSA-N
XLogP0.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol (CID 54333694) is (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol is C[C@@H]1CN(c2ccnnc2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol?
The InChIKey is FQENAEPTYJJOLE-APPZFPTMSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-5-12(6-9(7)13)8-2-3-10-11-4-8/h2-4,7,9,13H,5-6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol?
(3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol has a molecular weight of 179.22 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-1-pyridazin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 54333694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).