(2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid

C7H10N2O2 — CID 93495217

IUPAC(2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid
SMILESCC1=N[C@H](C(=O)O)C=N[C@H]1C
InChIInChI=1S/C7H10N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3-4,6H,1-2H3,(H,10,11)/t4-,6-/m0/s1
InChIKeyHPGQHSJSJWLFCV-NJGYIYPDSA-N
MW154.17 g/mol
LogP0.37
Rot. Bonds1

About (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid

(2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid (PubChem CID 93495217) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid
PubChem CID93495217
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid
SMILESCC1=N[C@H](C(=O)O)C=N[C@H]1C
InChIInChI=1S/C7H10N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3-4,6H,1-2H3,(H,10,11)/t4-,6-/m0/s1
InChIKeyHPGQHSJSJWLFCV-NJGYIYPDSA-N
XLogP0.37
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid?
The IUPAC name of (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid (CID 93495217) is (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid is CC1=N[C@H](C(=O)O)C=N[C@H]1C.
What is the InChIKey of (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid?
The InChIKey is HPGQHSJSJWLFCV-NJGYIYPDSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h3-4,6H,1-2H3,(H,10,11)/t4-,6-/m0/s1.
What are the key properties of (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid?
(2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid is sourced from PubChem (CID 93495217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).