1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid

C10H10ClF3N4O2 — CID 175475664

IUPAC1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1c1ncc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H10ClF3N4O2/c11-7-8(16-4-6(17-7)10(12,13)14)18-2-1-15-3-5(18)9(19)20/h4-5,15H,1-3H2,(H,19,20)
InChIKeyJCRPECLZDTUHCF-UHFFFAOYSA-N
MW310.66 g/mol
LogP1.01
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid

1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid (PubChem CID 175475664) has the molecular formula C10H10ClF3N4O2 and a molecular weight of 310.66 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid
PubChem CID175475664
Molecular FormulaC10H10ClF3N4O2
Molecular Weight310.66 g/mol
Exact Mass310.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1c1ncc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H10ClF3N4O2/c11-7-8(16-4-6(17-7)10(12,13)14)18-2-1-15-3-5(18)9(19)20/h4-5,15H,1-3H2,(H,19,20)
InChIKeyJCRPECLZDTUHCF-UHFFFAOYSA-N
XLogP1.01
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid (CID 175475664) is 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid is O=C(O)C1CNCCN1c1ncc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid?
The InChIKey is JCRPECLZDTUHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4O2/c11-7-8(16-4-6(17-7)10(12,13)14)18-2-1-15-3-5(18)9(19)20/h4-5,15H,1-3H2,(H,19,20).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid?
1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid has a molecular weight of 310.66 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]piperazine-2-carboxylic acid is sourced from PubChem (CID 175475664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).