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

C10H10N4O3 — CID 64888695

IUPAC3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid
SMILESN#Cc1nccnc1NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H10N4O3/c11-5-7-8(13-3-2-12-7)14-10(9(15)16)1-4-17-6-10/h2-3H,1,4,6H2,(H,13,14)(H,15,16)
InChIKeyBLNFXCQYOVXTJM-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.00
Rot. Bonds3

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

3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid (PubChem CID 64888695) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid
PubChem CID64888695
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid
SMILESN#Cc1nccnc1NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H10N4O3/c11-5-7-8(13-3-2-12-7)14-10(9(15)16)1-4-17-6-10/h2-3H,1,4,6H2,(H,13,14)(H,15,16)
InChIKeyBLNFXCQYOVXTJM-UHFFFAOYSA-N
XLogP0.00
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 ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid (CID 64888695) is 3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid is N#Cc1nccnc1NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is BLNFXCQYOVXTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-5-7-8(13-3-2-12-7)14-10(9(15)16)1-4-17-6-10/h2-3H,1,4,6H2,(H,13,14)(H,15,16).
What are the key properties of 3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid?
3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanopyrazin-2-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64888695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).