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

C13H20F3N3O2 — CID 136585887

IUPAC(2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol
SMILESCC(C)OC[C@@H](O)CN1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3O2/c1-9(2)21-8-11(20)7-18-3-4-19-10(6-18)5-17-12(19)13(14,15)16/h5,9,11,20H,3-4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyBRCSYMCMSBJBCN-NSHDSACASA-N
MW307.32 g/mol
LogP1.50
Rot. Bonds5

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

(2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol (PubChem CID 136585887) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is (2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol
PubChem CID136585887
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name(2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol
SMILESCC(C)OC[C@@H](O)CN1CCn2c(cnc2C(F)(F)F)C1
InChIInChI=1S/C13H20F3N3O2/c1-9(2)21-8-11(20)7-18-3-4-19-10(6-18)5-17-12(19)13(14,15)16/h5,9,11,20H,3-4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyBRCSYMCMSBJBCN-NSHDSACASA-N
XLogP1.50
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol?
The IUPAC name of (2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol (CID 136585887) is (2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol?
The canonical SMILES for (2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol is CC(C)OC[C@@H](O)CN1CCn2c(cnc2C(F)(F)F)C1.
What is the InChIKey of (2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol?
The InChIKey is BRCSYMCMSBJBCN-NSHDSACASA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-9(2)21-8-11(20)7-18-3-4-19-10(6-18)5-17-12(19)13(14,15)16/h5,9,11,20H,3-4,6-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol?
(2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol has a molecular weight of 307.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol is sourced from PubChem (CID 136585887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).