2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C13H16F3N7O — CID 136565948

IUPAC2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(C)c1nnnn1CC(=O)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3N7O/c1-8(2)11-18-19-20-23(11)7-10(24)21-3-4-22-9(6-21)5-17-12(22)13(14,15)16/h5,8H,3-4,6-7H2,1-2H3
InChIKeySQVNDDQXZYPIAS-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.05
Rot. Bonds3

About 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 136565948) has the molecular formula C13H16F3N7O and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID136565948
Molecular FormulaC13H16F3N7O
Molecular Weight343.31 g/mol
Exact Mass343.14
IUPAC Name2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(C)c1nnnn1CC(=O)N1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C13H16F3N7O/c1-8(2)11-18-19-20-23(11)7-10(24)21-3-4-22-9(6-21)5-17-12(22)13(14,15)16/h5,8H,3-4,6-7H2,1-2H3
InChIKeySQVNDDQXZYPIAS-UHFFFAOYSA-N
XLogP1.05
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 136565948) is 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(C)c1nnnn1CC(=O)N1CCn2c(cnc2C(F)(F)F)C1.
What is the InChIKey of 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is SQVNDDQXZYPIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N7O/c1-8(2)11-18-19-20-23(11)7-10(24)21-3-4-22-9(6-21)5-17-12(22)13(14,15)16/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 343.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yltetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 136565948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).