5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile

C7H9N3O2 — CID 69334530

IUPAC5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile
SMILESN#Cc1cc(N)oc1NCCO
InChIInChI=1S/C7H9N3O2/c8-4-5-3-6(9)12-7(5)10-1-2-11/h3,10-11H,1-2,9H2
InChIKeyCVLIGMWKEQRWMM-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.14
Rot. Bonds3

About 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile

5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile (PubChem CID 69334530) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile
PubChem CID69334530
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile
SMILESN#Cc1cc(N)oc1NCCO
InChIInChI=1S/C7H9N3O2/c8-4-5-3-6(9)12-7(5)10-1-2-11/h3,10-11H,1-2,9H2
InChIKeyCVLIGMWKEQRWMM-UHFFFAOYSA-N
XLogP0.14
TPSA95.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile?
The IUPAC name of 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile (CID 69334530) is 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile?
The canonical SMILES for 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile is N#Cc1cc(N)oc1NCCO.
What is the InChIKey of 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile?
The InChIKey is CVLIGMWKEQRWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-4-5-3-6(9)12-7(5)10-1-2-11/h3,10-11H,1-2,9H2.
What are the key properties of 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile?
5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile has a molecular weight of 167.17 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-hydroxyethylamino)furan-3-carbonitrile is sourced from PubChem (CID 69334530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).