2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol

C14H18N4O — CID 116972925

IUPAC2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccc(-c3cc[nH]c3)nn2)C1
InChIInChI=1S/C14H18N4O/c19-8-5-11-4-7-18(10-11)14-2-1-13(16-17-14)12-3-6-15-9-12/h1-3,6,9,11,15,19H,4-5,7-8,10H2
InChIKeyLTYTUQQATLGGMT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.68
Rot. Bonds4

About 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol

2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol (PubChem CID 116972925) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol
PubChem CID116972925
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccc(-c3cc[nH]c3)nn2)C1
InChIInChI=1S/C14H18N4O/c19-8-5-11-4-7-18(10-11)14-2-1-13(16-17-14)12-3-6-15-9-12/h1-3,6,9,11,15,19H,4-5,7-8,10H2
InChIKeyLTYTUQQATLGGMT-UHFFFAOYSA-N
XLogP1.68
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol (CID 116972925) is 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol is OCCC1CCN(c2ccc(-c3cc[nH]c3)nn2)C1.
What is the InChIKey of 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is LTYTUQQATLGGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-8-5-11-4-7-18(10-11)14-2-1-13(16-17-14)12-3-6-15-9-12/h1-3,6,9,11,15,19H,4-5,7-8,10H2.
What are the key properties of 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol?
2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 258.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 116972925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).