[(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol

C12H17N3O — CID 164642661

IUPAC[(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc2c(nn1)CCC2
InChIInChI=1S/C12H17N3O/c16-8-10-4-2-6-15(10)12-7-9-3-1-5-11(9)13-14-12/h7,10,16H,1-6,8H2/t10-/m1/s1
InChIKeyLCOGCFHBUHTLKE-SNVBAGLBSA-N
MW219.29 g/mol
LogP0.93
Rot. Bonds2

About [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol

[(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol (PubChem CID 164642661) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol
PubChem CID164642661
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc2c(nn1)CCC2
InChIInChI=1S/C12H17N3O/c16-8-10-4-2-6-15(10)12-7-9-3-1-5-11(9)13-14-12/h7,10,16H,1-6,8H2/t10-/m1/s1
InChIKeyLCOGCFHBUHTLKE-SNVBAGLBSA-N
XLogP0.93
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol (CID 164642661) is [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1cc2c(nn1)CCC2.
What is the InChIKey of [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol?
The InChIKey is LCOGCFHBUHTLKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O/c16-8-10-4-2-6-15(10)12-7-9-3-1-5-11(9)13-14-12/h7,10,16H,1-6,8H2/t10-/m1/s1.
What are the key properties of [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol?
[(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol has a molecular weight of 219.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 164642661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).