4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid

C16H16F3N5O2 — CID 170161346

IUPAC4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2nccnc2Nc2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)10-1-3-11(4-2-10)23-13-14(22-6-5-21-13)24-8-7-20-12(9-24)15(25)26/h1-6,12,20H,7-9H2,(H,21,23)(H,25,26)
InChIKeyNVHZRBHWAUHMTK-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.10
Rot. Bonds4

About 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid

4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid (PubChem CID 170161346) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid
PubChem CID170161346
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2nccnc2Nc2ccc(C(F)(F)F)cc2)CCN1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)10-1-3-11(4-2-10)23-13-14(22-6-5-21-13)24-8-7-20-12(9-24)15(25)26/h1-6,12,20H,7-9H2,(H,21,23)(H,25,26)
InChIKeyNVHZRBHWAUHMTK-UHFFFAOYSA-N
XLogP2.10
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid (CID 170161346) is 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid is O=C(O)C1CN(c2nccnc2Nc2ccc(C(F)(F)F)cc2)CCN1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid?
The InChIKey is NVHZRBHWAUHMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)10-1-3-11(4-2-10)23-13-14(22-6-5-21-13)24-8-7-20-12(9-24)15(25)26/h1-6,12,20H,7-9H2,(H,21,23)(H,25,26).
What are the key properties of 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid?
4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid has a molecular weight of 367.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid is sourced from PubChem (CID 170161346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).