3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid

C12H17N3O3 — CID 55107326

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(CC1CCCO1)c1nccnc1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-2-15(8-9-4-3-7-18-9)11-10(12(16)17)13-5-6-14-11/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyYCMFOEGKLWHLFM-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.18
Rot. Bonds5

About 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid

3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 55107326) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
PubChem CID55107326
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCCN(CC1CCCO1)c1nccnc1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-2-15(8-9-4-3-7-18-9)11-10(12(16)17)13-5-6-14-11/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyYCMFOEGKLWHLFM-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid (CID 55107326) is 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid is CCN(CC1CCCO1)c1nccnc1C(=O)O.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is YCMFOEGKLWHLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-15(8-9-4-3-7-18-9)11-10(12(16)17)13-5-6-14-11/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 55107326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).