5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid

C7H10N2O2 — CID 45082101

IUPAC5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid
SMILESCC1=NCC(C(=O)O)N=C1C
InChIInChI=1S/C7H10N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h6H,3H2,1-2H3,(H,10,11)
InChIKeyJQJUCHCCOPTAKV-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.38
Rot. Bonds1

About 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid

5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid (PubChem CID 45082101) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid
PubChem CID45082101
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid
SMILESCC1=NCC(C(=O)O)N=C1C
InChIInChI=1S/C7H10N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h6H,3H2,1-2H3,(H,10,11)
InChIKeyJQJUCHCCOPTAKV-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dihydropyrazine-2-carboxylic acid
CID 69131935
6-ethyl-3-sulfanylidene-2H-pyrazine-2-carboxylic acid
CID 174711981
2-(Propan-2-ylideneamino)propanoic acid
CID 174733370
5,6-dimethyl-3-oxo-2H-pyrazine-2-carboxylic acid
CID 45024455
5,6-Dimethyl-2,5-dihydropyrazine-2-carboxylic acid
CID 45082102
(2R)-5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid
CID 93495214
(2S)-5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid
CID 93495215
(2S,5R)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid
CID 93495216
(2S,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid
CID 93495217
(2R,5R)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid
CID 93495218
(2R,5S)-5,6-dimethyl-2,5-dihydropyrazine-2-carboxylic acid
CID 93495219

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid?
The IUPAC name of 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid (CID 45082101) is 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid is CC1=NCC(C(=O)O)N=C1C.
What is the InChIKey of 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid?
The InChIKey is JQJUCHCCOPTAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-5(2)9-6(3-8-4)7(10)11/h6H,3H2,1-2H3,(H,10,11).
What are the key properties of 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid?
5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2,3-dihydropyrazine-2-carboxylic acid is sourced from PubChem (CID 45082101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).