2,3-diaminobutanedinitrile

C4H6N4 — CID 14416612

IUPAC2,3-diaminobutanedinitrile
SMILESN#CC(N)C(N)C#N
InChIInChI=1S/C4H6N4/c5-1-3(7)4(8)2-6/h3-4H,7-8H2
InChIKeyXBXQRUBOMCRRTA-UHFFFAOYSA-N
MW110.12 g/mol
LogP-1.31
Rot. Bonds1

About 2,3-diaminobutanedinitrile

2,3-diaminobutanedinitrile (PubChem CID 14416612) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 2,3-diaminobutanedinitrile.

Molecular Properties

Compound Name2,3-diaminobutanedinitrile
PubChem CID14416612
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name2,3-diaminobutanedinitrile
SMILESN#CC(N)C(N)C#N
InChIInChI=1S/C4H6N4/c5-1-3(7)4(8)2-6/h3-4H,7-8H2
InChIKeyXBXQRUBOMCRRTA-UHFFFAOYSA-N
XLogP-1.31
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-diaminobutanedinitrile 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 2,3-diaminobutanedinitrile?
The IUPAC name of 2,3-diaminobutanedinitrile (CID 14416612) is 2,3-diaminobutanedinitrile.
What is the SMILES notation for 2,3-diaminobutanedinitrile?
The canonical SMILES for 2,3-diaminobutanedinitrile is N#CC(N)C(N)C#N.
What is the InChIKey of 2,3-diaminobutanedinitrile?
The InChIKey is XBXQRUBOMCRRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c5-1-3(7)4(8)2-6/h3-4H,7-8H2.
What are the key properties of 2,3-diaminobutanedinitrile?
2,3-diaminobutanedinitrile has a molecular weight of 110.12 g/mol, XLogP of -1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminobutanedinitrile is sourced from PubChem (CID 14416612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).