3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid

C11H14N4O3 — CID 2809924

IUPAC3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCN1CCN(C(=O)c2nccnc2C(=O)O)CC1
InChIInChI=1S/C11H14N4O3/c1-14-4-6-15(7-5-14)10(16)8-9(11(17)18)13-3-2-12-8/h2-3H,4-7H2,1H3,(H,17,18)
InChIKeyNGZFQQFXYRLUJR-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.44
Rot. Bonds2

About 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid

3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid (PubChem CID 2809924) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
PubChem CID2809924
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCN1CCN(C(=O)c2nccnc2C(=O)O)CC1
InChIInChI=1S/C11H14N4O3/c1-14-4-6-15(7-5-14)10(16)8-9(11(17)18)13-3-2-12-8/h2-3H,4-7H2,1H3,(H,17,18)
InChIKeyNGZFQQFXYRLUJR-UHFFFAOYSA-N
XLogP-0.44
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid (CID 2809924) is 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid is CN1CCN(C(=O)c2nccnc2C(=O)O)CC1.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
The InChIKey is NGZFQQFXYRLUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-14-4-6-15(7-5-14)10(16)8-9(11(17)18)13-3-2-12-8/h2-3H,4-7H2,1H3,(H,17,18).
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid?
3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 2809924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).