6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile

C10H2F3N5 — CID 23063976

IUPAC6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile
SMILESN#CC1=C(C(F)(F)F)Cn2c1nc(C#N)c2C#N
InChIInChI=1S/C10H2F3N5/c11-10(12,13)6-4-18-8(3-16)7(2-15)17-9(18)5(6)1-14/h4H2
InChIKeyUPWGQQVCXRODIL-UHFFFAOYSA-N
MW249.15 g/mol
LogP1.48
Rot. Bonds

About 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile

6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile (PubChem CID 23063976) has the molecular formula C10H2F3N5 and a molecular weight of 249.15 g/mol. Its IUPAC name is 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile.

Molecular Properties

Compound Name6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile
PubChem CID23063976
Molecular FormulaC10H2F3N5
Molecular Weight249.15 g/mol
Exact Mass249.03
IUPAC Name6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile
SMILESN#CC1=C(C(F)(F)F)Cn2c1nc(C#N)c2C#N
InChIInChI=1S/C10H2F3N5/c11-10(12,13)6-4-18-8(3-16)7(2-15)17-9(18)5(6)1-14/h4H2
InChIKeyUPWGQQVCXRODIL-UHFFFAOYSA-N
XLogP1.48
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile?
The IUPAC name of 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile (CID 23063976) is 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile.
What is the SMILES notation for 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile?
The canonical SMILES for 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile is N#CC1=C(C(F)(F)F)Cn2c1nc(C#N)c2C#N.
What is the InChIKey of 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile?
The InChIKey is UPWGQQVCXRODIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F3N5/c11-10(12,13)6-4-18-8(3-16)7(2-15)17-9(18)5(6)1-14/h4H2.
What are the key properties of 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile?
6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile has a molecular weight of 249.15 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-5H-pyrrolo[1,2-a]imidazole-2,3,7-tricarbonitrile is sourced from PubChem (CID 23063976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).