6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid

C12H13N3O3 — CID 66457051

IUPAC6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid
SMILESCc1occc1CN(C)c1cncc(C(=O)O)n1
InChIInChI=1S/C12H13N3O3/c1-8-9(3-4-18-8)7-15(2)11-6-13-5-10(14-11)12(16)17/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyAVGKKAQUERISRE-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.71
Rot. Bonds4

About 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid

6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid (PubChem CID 66457051) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid
PubChem CID66457051
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid
SMILESCc1occc1CN(C)c1cncc(C(=O)O)n1
InChIInChI=1S/C12H13N3O3/c1-8-9(3-4-18-8)7-15(2)11-6-13-5-10(14-11)12(16)17/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyAVGKKAQUERISRE-UHFFFAOYSA-N
XLogP1.71
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid (CID 66457051) is 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid is Cc1occc1CN(C)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is AVGKKAQUERISRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-9(3-4-18-8)7-15(2)11-6-13-5-10(14-11)12(16)17/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid?
6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66457051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).