5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid

C9H10N2O3 — CID 57475875

IUPAC5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCC2CC2)cn1
InChIInChI=1S/C9H10N2O3/c12-9(13)7-3-11-8(4-10-7)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyUTKCEOFCDHLKRM-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.96
Rot. Bonds4

About 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid

5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid (PubChem CID 57475875) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
PubChem CID57475875
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCC2CC2)cn1
InChIInChI=1S/C9H10N2O3/c12-9(13)7-3-11-8(4-10-7)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyUTKCEOFCDHLKRM-UHFFFAOYSA-N
XLogP0.96
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid (CID 57475875) is 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid is O=C(O)c1cnc(OCC2CC2)cn1.
What is the InChIKey of 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid?
The InChIKey is UTKCEOFCDHLKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-9(13)7-3-11-8(4-10-7)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13).
What are the key properties of 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid?
5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 57475875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).