3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid

C9H10N4O2 — CID 167888305

IUPAC3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)c1cncc(C#N)n1
InChIInChI=1S/C9H10N4O2/c1-13(3-2-9(14)15)8-6-11-5-7(4-10)12-8/h5-6H,2-3H2,1H3,(H,14,15)
InChIKeyCODVFTSXWBRKSO-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.26
Rot. Bonds4

About 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid

3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid (PubChem CID 167888305) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid
PubChem CID167888305
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid
SMILESCN(CCC(=O)O)c1cncc(C#N)n1
InChIInChI=1S/C9H10N4O2/c1-13(3-2-9(14)15)8-6-11-5-7(4-10)12-8/h5-6H,2-3H2,1H3,(H,14,15)
InChIKeyCODVFTSXWBRKSO-UHFFFAOYSA-N
XLogP0.26
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid?
The IUPAC name of 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid (CID 167888305) is 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid is CN(CCC(=O)O)c1cncc(C#N)n1.
What is the InChIKey of 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid?
The InChIKey is CODVFTSXWBRKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-13(3-2-9(14)15)8-6-11-5-7(4-10)12-8/h5-6H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid?
3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid has a molecular weight of 206.21 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid is sourced from PubChem (CID 167888305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).