5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine

C19H17F3N4O — CID 73058270

IUPAC5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine
SMILESCc1ccc(-c2cnnc(N3CCC(c4cccc(C(F)(F)F)c4)C3)n2)o1
InChIInChI=1S/C19H17F3N4O/c1-12-5-6-17(27-12)16-10-23-25-18(24-16)26-8-7-14(11-26)13-3-2-4-15(9-13)19(20,21)22/h2-6,9-10,14H,7-8,11H2,1H3
InChIKeyXRAJVTZSGJPDEJ-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.45
Rot. Bonds3

About 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine

5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine (PubChem CID 73058270) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine
PubChem CID73058270
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine
SMILESCc1ccc(-c2cnnc(N3CCC(c4cccc(C(F)(F)F)c4)C3)n2)o1
InChIInChI=1S/C19H17F3N4O/c1-12-5-6-17(27-12)16-10-23-25-18(24-16)26-8-7-14(11-26)13-3-2-4-15(9-13)19(20,21)22/h2-6,9-10,14H,7-8,11H2,1H3
InChIKeyXRAJVTZSGJPDEJ-UHFFFAOYSA-N
XLogP4.45
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine?
The IUPAC name of 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine (CID 73058270) is 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine?
The canonical SMILES for 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine is Cc1ccc(-c2cnnc(N3CCC(c4cccc(C(F)(F)F)c4)C3)n2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine?
The InChIKey is XRAJVTZSGJPDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-12-5-6-17(27-12)16-10-23-25-18(24-16)26-8-7-14(11-26)13-3-2-4-15(9-13)19(20,21)22/h2-6,9-10,14H,7-8,11H2,1H3.
What are the key properties of 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine?
5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine has a molecular weight of 374.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-3-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-1,2,4-triazine is sourced from PubChem (CID 73058270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).