N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C15H15F3N4O — CID 134796351

IUPACN,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCN(C)C(=O)C1CCc2nnc(-c3cccc(C(F)(F)F)c3)n21
InChIInChI=1S/C15H15F3N4O/c1-21(2)14(23)11-6-7-12-19-20-13(22(11)12)9-4-3-5-10(8-9)15(16,17)18/h3-5,8,11H,6-7H2,1-2H3
InChIKeyMQICHWSTGPJACN-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.54
Rot. Bonds2

About N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134796351) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134796351
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCN(C)C(=O)C1CCc2nnc(-c3cccc(C(F)(F)F)c3)n21
InChIInChI=1S/C15H15F3N4O/c1-21(2)14(23)11-6-7-12-19-20-13(22(11)12)9-4-3-5-10(8-9)15(16,17)18/h3-5,8,11H,6-7H2,1-2H3
InChIKeyMQICHWSTGPJACN-UHFFFAOYSA-N
XLogP2.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134796351) is N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is CN(C)C(=O)C1CCc2nnc(-c3cccc(C(F)(F)F)c3)n21.
What is the InChIKey of N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is MQICHWSTGPJACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-21(2)14(23)11-6-7-12-19-20-13(22(11)12)9-4-3-5-10(8-9)15(16,17)18/h3-5,8,11H,6-7H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134796351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).