2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol

C8H11N3O3 — CID 69340972

IUPAC2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol
SMILESNc1c(N)n(OCCO)c2occc12
InChIInChI=1S/C8H11N3O3/c9-6-5-1-3-13-8(5)11(7(6)10)14-4-2-12/h1,3,12H,2,4,9-10H2
InChIKeyGIYHJZFSVFFLCC-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.18
Rot. Bonds3

About 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol

2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol (PubChem CID 69340972) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol.

Molecular Properties

Compound Name2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol
PubChem CID69340972
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol
SMILESNc1c(N)n(OCCO)c2occc12
InChIInChI=1S/C8H11N3O3/c9-6-5-1-3-13-8(5)11(7(6)10)14-4-2-12/h1,3,12H,2,4,9-10H2
InChIKeyGIYHJZFSVFFLCC-UHFFFAOYSA-N
XLogP-0.18
TPSA99.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol?
The IUPAC name of 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol (CID 69340972) is 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol.
What is the SMILES notation for 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol?
The canonical SMILES for 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol is Nc1c(N)n(OCCO)c2occc12.
What is the InChIKey of 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol?
The InChIKey is GIYHJZFSVFFLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-6-5-1-3-13-8(5)11(7(6)10)14-4-2-12/h1,3,12H,2,4,9-10H2.
What are the key properties of 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol?
2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol has a molecular weight of 197.19 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diaminofuro[2,3-b]pyrrol-6-yl)oxyethanol is sourced from PubChem (CID 69340972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).