5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid

C9H12N4O3 — CID 107372363

IUPAC5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
SMILESCNC(=O)C(C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C9H12N4O3/c1-5(8(14)10-2)13-7-4-11-6(3-12-7)9(15)16/h3-5H,1-2H3,(H,10,14)(H,12,13)(H,15,16)
InChIKeyLUBDTLMFTMAUPI-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.28
Rot. Bonds4

About 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid

5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid (PubChem CID 107372363) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
PubChem CID107372363
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
SMILESCNC(=O)C(C)Nc1cnc(C(=O)O)cn1
InChIInChI=1S/C9H12N4O3/c1-5(8(14)10-2)13-7-4-11-6(3-12-7)9(15)16/h3-5H,1-2H3,(H,10,14)(H,12,13)(H,15,16)
InChIKeyLUBDTLMFTMAUPI-UHFFFAOYSA-N
XLogP-0.28
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid (CID 107372363) is 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid is CNC(=O)C(C)Nc1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid?
The InChIKey is LUBDTLMFTMAUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5(8(14)10-2)13-7-4-11-6(3-12-7)9(15)16/h3-5H,1-2H3,(H,10,14)(H,12,13)(H,15,16).
What are the key properties of 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid?
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).