5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile

C11H13N5O — CID 66212091

IUPAC5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2C(N)C3CCOC32)cn1
InChIInChI=1S/C11H13N5O/c12-3-6-4-15-8(5-14-6)16-10-9(13)7-1-2-17-11(7)10/h4-5,7,9-11H,1-2,13H2,(H,15,16)
InChIKeyUYGBNAXONJXCJL-UHFFFAOYSA-N
MW231.26 g/mol
LogP-0.13
Rot. Bonds2

About 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile

5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile (PubChem CID 66212091) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile
PubChem CID66212091
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NC2C(N)C3CCOC32)cn1
InChIInChI=1S/C11H13N5O/c12-3-6-4-15-8(5-14-6)16-10-9(13)7-1-2-17-11(7)10/h4-5,7,9-11H,1-2,13H2,(H,15,16)
InChIKeyUYGBNAXONJXCJL-UHFFFAOYSA-N
XLogP-0.13
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-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 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile (CID 66212091) is 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile is N#Cc1cnc(NC2C(N)C3CCOC32)cn1.
What is the InChIKey of 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is UYGBNAXONJXCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-3-6-4-15-8(5-14-6)16-10-9(13)7-1-2-17-11(7)10/h4-5,7,9-11H,1-2,13H2,(H,15,16).
What are the key properties of 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile?
5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 231.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 66212091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).