5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid

C12H15F2N3O2 — CID 122058211

IUPAC5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCC(C(F)F)CC2)cn1
InChIInChI=1S/C12H15F2N3O2/c13-11(14)7-1-3-8(4-2-7)17-10-6-15-9(5-16-10)12(18)19/h5-8,11H,1-4H2,(H,16,17)(H,18,19)
InChIKeyPORNURAOAWMOEL-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.41
Rot. Bonds4

About 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid

5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122058211) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid
PubChem CID122058211
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCC(C(F)F)CC2)cn1
InChIInChI=1S/C12H15F2N3O2/c13-11(14)7-1-3-8(4-2-7)17-10-6-15-9(5-16-10)12(18)19/h5-8,11H,1-4H2,(H,16,17)(H,18,19)
InChIKeyPORNURAOAWMOEL-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid (CID 122058211) is 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC2CCC(C(F)F)CC2)cn1.
What is the InChIKey of 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is PORNURAOAWMOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c13-11(14)7-1-3-8(4-2-7)17-10-6-15-9(5-16-10)12(18)19/h5-8,11H,1-4H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid?
5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(difluoromethyl)cyclohexyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122058211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).