3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid

C13H17N3O4 — CID 65157287

IUPAC3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCC1OC(C)C(C(=O)Nc2nccnc2C(=O)O)C1C
InChIInChI=1S/C13H17N3O4/c1-6-7(2)20-8(3)9(6)12(17)16-11-10(13(18)19)14-4-5-15-11/h4-9H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyNOJJQGVZDCVZHR-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.17
Rot. Bonds3

About 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 65157287) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID65157287
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCC1OC(C)C(C(=O)Nc2nccnc2C(=O)O)C1C
InChIInChI=1S/C13H17N3O4/c1-6-7(2)20-8(3)9(6)12(17)16-11-10(13(18)19)14-4-5-15-11/h4-9H,1-3H3,(H,18,19)(H,15,16,17)
InChIKeyNOJJQGVZDCVZHR-UHFFFAOYSA-N
XLogP1.17
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid (CID 65157287) is 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid is CC1OC(C)C(C(=O)Nc2nccnc2C(=O)O)C1C.
What is the InChIKey of 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is NOJJQGVZDCVZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-6-7(2)20-8(3)9(6)12(17)16-11-10(13(18)19)14-4-5-15-11/h4-9H,1-3H3,(H,18,19)(H,15,16,17).
What are the key properties of 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 65157287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).