3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid

C12H14N4O4 — CID 24860726

IUPAC3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(N2CCC2)c(C(=O)O)nc1N1CCC1
InChIInChI=1S/C12H14N4O4/c17-11(18)7-9(15-3-1-4-15)13-8(12(19)20)10(14-7)16-5-2-6-16/h1-6H2,(H,17,18)(H,19,20)
InChIKeyMOTOQCMXHDDLJO-UHFFFAOYSA-N
MW278.27 g/mol
LogP0.29
Rot. Bonds4

About 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid

3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid (PubChem CID 24860726) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid
PubChem CID24860726
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid
SMILESO=C(O)c1nc(N2CCC2)c(C(=O)O)nc1N1CCC1
InChIInChI=1S/C12H14N4O4/c17-11(18)7-9(15-3-1-4-15)13-8(12(19)20)10(14-7)16-5-2-6-16/h1-6H2,(H,17,18)(H,19,20)
InChIKeyMOTOQCMXHDDLJO-UHFFFAOYSA-N
XLogP0.29
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid?
The IUPAC name of 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid (CID 24860726) is 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid.
What is the SMILES notation for 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid?
The canonical SMILES for 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid is O=C(O)c1nc(N2CCC2)c(C(=O)O)nc1N1CCC1.
What is the InChIKey of 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid?
The InChIKey is MOTOQCMXHDDLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c17-11(18)7-9(15-3-1-4-15)13-8(12(19)20)10(14-7)16-5-2-6-16/h1-6H2,(H,17,18)(H,19,20).
What are the key properties of 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid?
3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid has a molecular weight of 278.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(azetidin-1-yl)pyrazine-2,5-dicarboxylic acid is sourced from PubChem (CID 24860726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).