1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid

C10H15N3O3 — CID 173249540

IUPAC1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid
SMILESCC(C)NC(=O)CN1C=C(C(=O)O)N=CC1
InChIInChI=1S/C10H15N3O3/c1-7(2)12-9(14)6-13-4-3-11-8(5-13)10(15)16/h3,5,7H,4,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyQRUPWUMQINGICS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.18
Rot. Bonds4

About 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid

1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid (PubChem CID 173249540) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid
PubChem CID173249540
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid
SMILESCC(C)NC(=O)CN1C=C(C(=O)O)N=CC1
InChIInChI=1S/C10H15N3O3/c1-7(2)12-9(14)6-13-4-3-11-8(5-13)10(15)16/h3,5,7H,4,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyQRUPWUMQINGICS-UHFFFAOYSA-N
XLogP-0.18
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid (CID 173249540) is 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid is CC(C)NC(=O)CN1C=C(C(=O)O)N=CC1.
What is the InChIKey of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid?
The InChIKey is QRUPWUMQINGICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)12-9(14)6-13-4-3-11-8(5-13)10(15)16/h3,5,7H,4,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid?
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid is sourced from PubChem (CID 173249540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).