1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile

C11H7N5O2 — CID 3454191

IUPAC1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2ccco2)c(C#N)c(=O)n(N)c1N
InChIInChI=1S/C11H7N5O2/c12-4-6-9(8-2-1-3-18-8)7(5-13)11(17)16(15)10(6)14/h1-3H,14-15H2
InChIKeyCTZLADLIVLTPBX-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.15
Rot. Bonds1

About 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile

1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 3454191) has the molecular formula C11H7N5O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile
PubChem CID3454191
Molecular FormulaC11H7N5O2
Molecular Weight241.21 g/mol
Exact Mass241.06
IUPAC Name1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile
SMILESN#Cc1c(-c2ccco2)c(C#N)c(=O)n(N)c1N
InChIInChI=1S/C11H7N5O2/c12-4-6-9(8-2-1-3-18-8)7(5-13)11(17)16(15)10(6)14/h1-3H,14-15H2
InChIKeyCTZLADLIVLTPBX-UHFFFAOYSA-N
XLogP0.15
TPSA134.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile (CID 3454191) is 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile is N#Cc1c(-c2ccco2)c(C#N)c(=O)n(N)c1N.
What is the InChIKey of 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is CTZLADLIVLTPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2/c12-4-6-9(8-2-1-3-18-8)7(5-13)11(17)16(15)10(6)14/h1-3H,14-15H2.
What are the key properties of 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile?
1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 241.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3454191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).