5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid

C16H14F3N3O2 — CID 68802693

IUPAC5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CC2)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-5-3-10(4-6-11)13-14(20-7-9-1-2-9)21-8-12(22-13)15(23)24/h3-6,8-9H,1-2,7H2,(H,20,21)(H,23,24)
InChIKeyODEPJBPMADXJQA-UHFFFAOYSA-N
MW337.30 g/mol
LogP3.68
Rot. Bonds5

About 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid

5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 68802693) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID68802693
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC2CC2)c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)11-5-3-10(4-6-11)13-14(20-7-9-1-2-9)21-8-12(22-13)15(23)24/h3-6,8-9H,1-2,7H2,(H,20,21)(H,23,24)
InChIKeyODEPJBPMADXJQA-UHFFFAOYSA-N
XLogP3.68
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid (CID 68802693) is 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCC2CC2)c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is ODEPJBPMADXJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)11-5-3-10(4-6-11)13-14(20-7-9-1-2-9)21-8-12(22-13)15(23)24/h3-6,8-9H,1-2,7H2,(H,20,21)(H,23,24).
What are the key properties of 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid?
5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 337.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylamino)-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 68802693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).