2,4-diaminofuran-3-carbonitrile

C5H5N3O — CID 69335030

IUPAC2,4-diaminofuran-3-carbonitrile
SMILESN#Cc1c(N)coc1N
InChIInChI=1S/C5H5N3O/c6-1-3-4(7)2-9-5(3)8/h2H,7-8H2
InChIKeyZMQASRAYLYOJCE-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.32
Rot. Bonds

About 2,4-diaminofuran-3-carbonitrile

2,4-diaminofuran-3-carbonitrile (PubChem CID 69335030) has the molecular formula C5H5N3O and a molecular weight of 123.11 g/mol. Its IUPAC name is 2,4-diaminofuran-3-carbonitrile.

Molecular Properties

Compound Name2,4-diaminofuran-3-carbonitrile
PubChem CID69335030
Molecular FormulaC5H5N3O
Molecular Weight123.11 g/mol
Exact Mass123.04
IUPAC Name2,4-diaminofuran-3-carbonitrile
SMILESN#Cc1c(N)coc1N
InChIInChI=1S/C5H5N3O/c6-1-3-4(7)2-9-5(3)8/h2H,7-8H2
InChIKeyZMQASRAYLYOJCE-UHFFFAOYSA-N
XLogP0.32
TPSA88.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-diaminofuran-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-diaminofuran-3-carbonitrile?
The IUPAC name of 2,4-diaminofuran-3-carbonitrile (CID 69335030) is 2,4-diaminofuran-3-carbonitrile.
What is the SMILES notation for 2,4-diaminofuran-3-carbonitrile?
The canonical SMILES for 2,4-diaminofuran-3-carbonitrile is N#Cc1c(N)coc1N.
What is the InChIKey of 2,4-diaminofuran-3-carbonitrile?
The InChIKey is ZMQASRAYLYOJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O/c6-1-3-4(7)2-9-5(3)8/h2H,7-8H2.
What are the key properties of 2,4-diaminofuran-3-carbonitrile?
2,4-diaminofuran-3-carbonitrile has a molecular weight of 123.11 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diaminofuran-3-carbonitrile is sourced from PubChem (CID 69335030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).