2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid

C12H16N4O3 — CID 65418820

IUPAC2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCc1cnc(C)c(N2CCNC(=O)C2CC(=O)O)n1
InChIInChI=1S/C12H16N4O3/c1-7-6-14-8(2)11(15-7)16-4-3-13-12(19)9(16)5-10(17)18/h6,9H,3-5H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyJNUKOVUFRUJZCV-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.13
Rot. Bonds3

About 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 65418820) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID65418820
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
SMILESCc1cnc(C)c(N2CCNC(=O)C2CC(=O)O)n1
InChIInChI=1S/C12H16N4O3/c1-7-6-14-8(2)11(15-7)16-4-3-13-12(19)9(16)5-10(17)18/h6,9H,3-5H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyJNUKOVUFRUJZCV-UHFFFAOYSA-N
XLogP-0.13
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-Dimethylpyrazin-2-yl)amino]-4-oxobutanoic acid
CID 2800619
4-[(5-Cyanopyrazin-2-yl)amino]-4-oxo-butanoic acid
CID 89437178
3-[4-[5-(Ethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]propanoic acid
CID 129016559
(3S)-3-[2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
CID 42565588
(3R)-3-[2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
CID 42565590
3-{2-[4-(3,6-Dimethyl-2-pyrazinyl)-1-piperazinyl]-2-oxoethyl}-4-(3-methylbutyl)-2-piperazinone
CID 45218486
2-[(3,6-Dimethylpyrazin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904222
2-[(3,6-Dimethylpyrazin-2-yl)amino]-1-piperazin-1-ylethanone
CID 55021072
2-[1-(3-Cyanopyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 64278374
2-[1-(3-Carbamoylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 64278575
2-[1-(5-Cyanopyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid
CID 64278963
2-(3-Oxo-1-pyrazin-2-ylpiperazin-2-yl)acetic acid
CID 64279345

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid (CID 65418820) is 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid is Cc1cnc(C)c(N2CCNC(=O)C2CC(=O)O)n1.
What is the InChIKey of 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is JNUKOVUFRUJZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7-6-14-8(2)11(15-7)16-4-3-13-12(19)9(16)5-10(17)18/h6,9H,3-5H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dimethylpyrazin-2-yl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 65418820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).