3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine

C14H13F3N4 — CID 6413293

IUPAC3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine
SMILESFC(F)(F)c1nnc(-c2ccccc2)nc1N1CCCC1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)11-13(21-8-4-5-9-21)18-12(20-19-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyBSBCMGXOFPKBNL-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.16
Rot. Bonds2

About 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine

3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine (PubChem CID 6413293) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine
PubChem CID6413293
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine
SMILESFC(F)(F)c1nnc(-c2ccccc2)nc1N1CCCC1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)11-13(21-8-4-5-9-21)18-12(20-19-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyBSBCMGXOFPKBNL-UHFFFAOYSA-N
XLogP3.16
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine?
The IUPAC name of 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine (CID 6413293) is 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine.
What is the SMILES notation for 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine?
The canonical SMILES for 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine is FC(F)(F)c1nnc(-c2ccccc2)nc1N1CCCC1.
What is the InChIKey of 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine?
The InChIKey is BSBCMGXOFPKBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)11-13(21-8-4-5-9-21)18-12(20-19-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine?
3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine has a molecular weight of 294.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-pyrrolidin-1-yl-6-(trifluoromethyl)-1,2,4-triazine is sourced from PubChem (CID 6413293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).