4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid

C10H10N4O3 — CID 66241293

IUPAC4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid
SMILESN#Cc1nccnc1NC1COCC1C(=O)O
InChIInChI=1S/C10H10N4O3/c11-3-7-9(13-2-1-12-7)14-8-5-17-4-6(8)10(15)16/h1-2,6,8H,4-5H2,(H,13,14)(H,15,16)
InChIKeyICMUBUWNRVXTMC-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.14
Rot. Bonds3

About 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid

4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66241293) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID66241293
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid
SMILESN#Cc1nccnc1NC1COCC1C(=O)O
InChIInChI=1S/C10H10N4O3/c11-3-7-9(13-2-1-12-7)14-8-5-17-4-6(8)10(15)16/h1-2,6,8H,4-5H2,(H,13,14)(H,15,16)
InChIKeyICMUBUWNRVXTMC-UHFFFAOYSA-N
XLogP-0.14
TPSA108.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid (CID 66241293) is 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid is N#Cc1nccnc1NC1COCC1C(=O)O.
What is the InChIKey of 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is ICMUBUWNRVXTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-3-7-9(13-2-1-12-7)14-8-5-17-4-6(8)10(15)16/h1-2,6,8H,4-5H2,(H,13,14)(H,15,16).
What are the key properties of 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid?
4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66241293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).