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

C9H13N3O — CID 69333985

IUPAC5-amino-2-(diethylamino)furan-3-carbonitrile
SMILESCCN(CC)c1oc(N)cc1C#N
InChIInChI=1S/C9H13N3O/c1-3-12(4-2)9-7(6-10)5-8(11)13-9/h5H,3-4,11H2,1-2H3
InChIKeyGBQAROAKAHYXCM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.58
Rot. Bonds3

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

5-amino-2-(diethylamino)furan-3-carbonitrile (PubChem CID 69333985) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-amino-2-(diethylamino)furan-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(diethylamino)furan-3-carbonitrile
PubChem CID69333985
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-amino-2-(diethylamino)furan-3-carbonitrile
SMILESCCN(CC)c1oc(N)cc1C#N
InChIInChI=1S/C9H13N3O/c1-3-12(4-2)9-7(6-10)5-8(11)13-9/h5H,3-4,11H2,1-2H3
InChIKeyGBQAROAKAHYXCM-UHFFFAOYSA-N
XLogP1.58
TPSA66.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(diethylamino)furan-3-carbonitrile?
The IUPAC name of 5-amino-2-(diethylamino)furan-3-carbonitrile (CID 69333985) is 5-amino-2-(diethylamino)furan-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(diethylamino)furan-3-carbonitrile?
The canonical SMILES for 5-amino-2-(diethylamino)furan-3-carbonitrile is CCN(CC)c1oc(N)cc1C#N.
What is the InChIKey of 5-amino-2-(diethylamino)furan-3-carbonitrile?
The InChIKey is GBQAROAKAHYXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-12(4-2)9-7(6-10)5-8(11)13-9/h5H,3-4,11H2,1-2H3.
What are the key properties of 5-amino-2-(diethylamino)furan-3-carbonitrile?
5-amino-2-(diethylamino)furan-3-carbonitrile has a molecular weight of 179.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(diethylamino)furan-3-carbonitrile is sourced from PubChem (CID 69333985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).