6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid

C12H13N3O3 — CID 66451234

IUPAC6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1ccc(C(C)Nc2cncc(C(=O)O)n2)o1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-10(18-7)8(2)14-11-6-13-5-9(15-11)12(16)17/h3-6,8H,1-2H3,(H,14,15)(H,16,17)
InChIKeyKSRIITFCKNBSSA-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.25
Rot. Bonds4

About 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid

6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 66451234) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID66451234
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1ccc(C(C)Nc2cncc(C(=O)O)n2)o1
InChIInChI=1S/C12H13N3O3/c1-7-3-4-10(18-7)8(2)14-11-6-13-5-9(15-11)12(16)17/h3-6,8H,1-2H3,(H,14,15)(H,16,17)
InChIKeyKSRIITFCKNBSSA-UHFFFAOYSA-N
XLogP2.25
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid (CID 66451234) is 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid is Cc1ccc(C(C)Nc2cncc(C(=O)O)n2)o1.
What is the InChIKey of 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is KSRIITFCKNBSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-3-4-10(18-7)8(2)14-11-6-13-5-9(15-11)12(16)17/h3-6,8H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid?
6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methylfuran-2-yl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66451234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).