N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide

C12H16N4O2 — CID 66211143

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)c1cnccn1
InChIInChI=1S/C12H16N4O2/c13-9-7-2-1-5-18-11(7)10(9)16-12(17)8-6-14-3-4-15-8/h3-4,6-7,9-11H,1-2,5,13H2,(H,16,17)
InChIKeySLKHHVDQGXPDLP-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.29
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide (PubChem CID 66211143) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide
PubChem CID66211143
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)c1cnccn1
InChIInChI=1S/C12H16N4O2/c13-9-7-2-1-5-18-11(7)10(9)16-12(17)8-6-14-3-4-15-8/h3-4,6-7,9-11H,1-2,5,13H2,(H,16,17)
InChIKeySLKHHVDQGXPDLP-UHFFFAOYSA-N
XLogP-0.29
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide (CID 66211143) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide is NC1C2CCCOC2C1NC(=O)c1cnccn1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide?
The InChIKey is SLKHHVDQGXPDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-9-7-2-1-5-18-11(7)10(9)16-12(17)8-6-14-3-4-15-8/h3-4,6-7,9-11H,1-2,5,13H2,(H,16,17).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 66211143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).