furan-3,4-diamine

C4H6N2O — CID 22041940

IUPACfuran-3,4-diamine
SMILESNc1cocc1N
InChIInChI=1S/C4H6N2O/c5-3-1-7-2-4(3)6/h1-2H,5-6H2
InChIKeySYMAEXJCESFOLG-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.44
Rot. Bonds

About furan-3,4-diamine

furan-3,4-diamine (PubChem CID 22041940) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is furan-3,4-diamine.

Molecular Properties

Compound Namefuran-3,4-diamine
PubChem CID22041940
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Namefuran-3,4-diamine
SMILESNc1cocc1N
InChIInChI=1S/C4H6N2O/c5-3-1-7-2-4(3)6/h1-2H,5-6H2
InChIKeySYMAEXJCESFOLG-UHFFFAOYSA-N
XLogP0.44
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3,4-diamine?
The IUPAC name of furan-3,4-diamine (CID 22041940) is furan-3,4-diamine.
What is the SMILES notation for furan-3,4-diamine?
The canonical SMILES for furan-3,4-diamine is Nc1cocc1N.
What is the InChIKey of furan-3,4-diamine?
The InChIKey is SYMAEXJCESFOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c5-3-1-7-2-4(3)6/h1-2H,5-6H2.
What are the key properties of furan-3,4-diamine?
furan-3,4-diamine has a molecular weight of 98.10 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3,4-diamine is sourced from PubChem (CID 22041940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).