5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid

C11H16N4O3 — CID 79070897

IUPAC5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCN1CCOC(CNc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H16N4O3/c1-15-2-3-18-8(7-15)4-13-10-6-12-9(5-14-10)11(16)17/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,16,17)
InChIKeyPFJKJWKBGWRUAK-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.08
Rot. Bonds4

About 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid

5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 79070897) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID79070897
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCN1CCOC(CNc2cnc(C(=O)O)cn2)C1
InChIInChI=1S/C11H16N4O3/c1-15-2-3-18-8(7-15)4-13-10-6-12-9(5-14-10)11(16)17/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,16,17)
InChIKeyPFJKJWKBGWRUAK-UHFFFAOYSA-N
XLogP-0.08
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid (CID 79070897) is 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid is CN1CCOC(CNc2cnc(C(=O)O)cn2)C1.
What is the InChIKey of 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is PFJKJWKBGWRUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-15-2-3-18-8(7-15)4-13-10-6-12-9(5-14-10)11(16)17/h5-6,8H,2-4,7H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid?
5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 79070897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).