2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile

C12H8N4O — CID 91735906

IUPAC2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile
SMILESN#Cc1c(N)oc(-c2cccc(N)c2)c1C#N
InChIInChI=1S/C12H8N4O/c13-5-9-10(6-14)12(16)17-11(9)7-2-1-3-8(15)4-7/h1-4H,15-16H2
InChIKeyHSOSNJJGUMUTJT-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.85
Rot. Bonds1

About 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile

2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile (PubChem CID 91735906) has the molecular formula C12H8N4O and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile
PubChem CID91735906
Molecular FormulaC12H8N4O
Molecular Weight224.22 g/mol
Exact Mass224.07
IUPAC Name2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile
SMILESN#Cc1c(N)oc(-c2cccc(N)c2)c1C#N
InChIInChI=1S/C12H8N4O/c13-5-9-10(6-14)12(16)17-11(9)7-2-1-3-8(15)4-7/h1-4H,15-16H2
InChIKeyHSOSNJJGUMUTJT-UHFFFAOYSA-N
XLogP1.85
TPSA112.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methyl-5-(3-methylsulfonylphenyl)furan-3-carbonitrile
CID 11242857
3-(5-amino-3,4-dihydroxyfuran-2-yl)benzonitrile
CID 123634735
3-(3-aminophenyl)aniline;sulfane
CID 175159845
3-(3-aminophenyl)-5-chlorobenzonitrile
CID 172993816
5-amino-2-phenyl-4-thiophen-2-ylfuran-3-carbonitrile
CID 82045455
benzene-1,3-diamine;hydrate
CID 133188498
2-(4-amino-2,6-difluorophenyl)sulfanyl-6-bromobenzonitrile
CID 114887614
2-amino-4-(2-oxo-1,3-dihydroindol-3-yl)-5-phenylfuran-3-carbonitrile
CID 13411080
benzene-1,3-diamine
CID 7935
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 22060846
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
2-amino-4-(6-methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)-5-phenylfuran-3-carbonitrile
CID 132540338

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile?
The IUPAC name of 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile (CID 91735906) is 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile.
What is the SMILES notation for 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile?
The canonical SMILES for 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile is N#Cc1c(N)oc(-c2cccc(N)c2)c1C#N.
What is the InChIKey of 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile?
The InChIKey is HSOSNJJGUMUTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O/c13-5-9-10(6-14)12(16)17-11(9)7-2-1-3-8(15)4-7/h1-4H,15-16H2.
What are the key properties of 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile?
2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile has a molecular weight of 224.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-aminophenyl)furan-3,4-dicarbonitrile is sourced from PubChem (CID 91735906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).