5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid

C11H17N5O2 — CID 107372352

IUPAC5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCN2CCNCC2)cn1
InChIInChI=1S/C11H17N5O2/c17-11(18)9-7-15-10(8-14-9)13-3-6-16-4-1-12-2-5-16/h7-8,12H,1-6H2,(H,13,15)(H,17,18)
InChIKeyIDQLBDSJPGKPAV-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.51
Rot. Bonds5

About 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid

5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid (PubChem CID 107372352) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
PubChem CID107372352
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCCN2CCNCC2)cn1
InChIInChI=1S/C11H17N5O2/c17-11(18)9-7-15-10(8-14-9)13-3-6-16-4-1-12-2-5-16/h7-8,12H,1-6H2,(H,13,15)(H,17,18)
InChIKeyIDQLBDSJPGKPAV-UHFFFAOYSA-N
XLogP-0.51
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethylamino]pyrazine-2-carboxylic acid
CID 166302096
N-(2-morpholin-4-ylethyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277458
N-(6-methylquinolin-8-yl)-5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxamide
CID 151066777
4-(2-piperazin-1-ylethylamino)pyrimidine-5-carboxylic acid
CID 114214142
6-(2-piperazin-1-ylethylamino)pyridine-3-sulfonamide
CID 43607786
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326
6-chloro-N-(2-piperazin-1-ylethyl)pyrazin-2-amine
CID 116650770
N-(2-piperazin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43600453
N-benzyl-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277602
4-(2-piperazin-1-ylethylamino)benzoic acid
CID 62230184
(4-ethylpiperazin-1-yl)-[5-(2-morpholin-4-ylethylamino)pyrazin-2-yl]methanone
CID 109277598
5-[(2-methyltetrazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 167982197

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid (CID 107372352) is 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCCN2CCNCC2)cn1.
What is the InChIKey of 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid?
The InChIKey is IDQLBDSJPGKPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c17-11(18)9-7-15-10(8-14-9)13-3-6-16-4-1-12-2-5-16/h7-8,12H,1-6H2,(H,13,15)(H,17,18).
What are the key properties of 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid?
5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperazin-1-ylethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).