1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol

C12H17N5O — CID 112629648

IUPAC1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nc(N)cn3ccnc23)C1
InChIInChI=1S/C12H17N5O/c1-8(18)9-2-4-16(6-9)12-11-14-3-5-17(11)7-10(13)15-12/h3,5,7-9,18H,2,4,6,13H2,1H3
InChIKeyFLLQABGAUZLTES-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.52
Rot. Bonds2

About 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol

1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112629648) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol
PubChem CID112629648
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2nc(N)cn3ccnc23)C1
InChIInChI=1S/C12H17N5O/c1-8(18)9-2-4-16(6-9)12-11-14-3-5-17(11)7-10(13)15-12/h3,5,7-9,18H,2,4,6,13H2,1H3
InChIKeyFLLQABGAUZLTES-UHFFFAOYSA-N
XLogP0.52
TPSA79.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol (CID 112629648) is 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2nc(N)cn3ccnc23)C1.
What is the InChIKey of 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is FLLQABGAUZLTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(18)9-2-4-16(6-9)12-11-14-3-5-17(11)7-10(13)15-12/h3,5,7-9,18H,2,4,6,13H2,1H3.
What are the key properties of 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol?
1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-aminoimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).