3-(oxetan-3-yl)pyrazine-2-carboxamide

C8H9N3O2 — CID 166006008

IUPAC3-(oxetan-3-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1C1COC1
InChIInChI=1S/C8H9N3O2/c9-8(12)7-6(5-3-13-4-5)10-1-2-11-7/h1-2,5H,3-4H2,(H2,9,12)
InChIKeyBHRGFVZHNKTZDM-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.31
Rot. Bonds2

About 3-(oxetan-3-yl)pyrazine-2-carboxamide

3-(oxetan-3-yl)pyrazine-2-carboxamide (PubChem CID 166006008) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(oxetan-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(oxetan-3-yl)pyrazine-2-carboxamide
PubChem CID166006008
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-(oxetan-3-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1C1COC1
InChIInChI=1S/C8H9N3O2/c9-8(12)7-6(5-3-13-4-5)10-1-2-11-7/h1-2,5H,3-4H2,(H2,9,12)
InChIKeyBHRGFVZHNKTZDM-UHFFFAOYSA-N
XLogP-0.31
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-(oxetan-3-yl)pyrazine-2-carboxamide (CID 166006008) is 3-(oxetan-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(oxetan-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(oxetan-3-yl)pyrazine-2-carboxamide is NC(=O)c1nccnc1C1COC1.
What is the InChIKey of 3-(oxetan-3-yl)pyrazine-2-carboxamide?
The InChIKey is BHRGFVZHNKTZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-8(12)7-6(5-3-13-4-5)10-1-2-11-7/h1-2,5H,3-4H2,(H2,9,12).
What are the key properties of 3-(oxetan-3-yl)pyrazine-2-carboxamide?
3-(oxetan-3-yl)pyrazine-2-carboxamide has a molecular weight of 179.18 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 166006008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).