2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid

C15H24F3N3O4 — CID 118742982

IUPAC2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESCC(C)OCc1ncn2c1CN(CCO)CCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23N3O2.C2HF3O2/c1-11(2)18-9-12-13-8-15(6-7-17)4-3-5-16(13)10-14-12;3-2(4,5)1(6)7/h10-11,17H,3-9H2,1-2H3;(H,6,7)
InChIKeyWIPPJVZCFHODLU-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid

2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid (PubChem CID 118742982) has the molecular formula C15H24F3N3O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid
PubChem CID118742982
Molecular FormulaC15H24F3N3O4
Molecular Weight367.37 g/mol
Exact Mass367.17
IUPAC Name2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid
SMILESCC(C)OCc1ncn2c1CN(CCO)CCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H23N3O2.C2HF3O2/c1-11(2)18-9-12-13-8-15(6-7-17)4-3-5-16(13)10-14-12;3-2(4,5)1(6)7/h10-11,17H,3-9H2,1-2H3;(H,6,7)
InChIKeyWIPPJVZCFHODLU-UHFFFAOYSA-N
XLogP1.64
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

8-(Cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97381707
2-[1-(Propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol
CID 97520079
1-(hydroxymethyl)-N-propan-2-yl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide;2,2,2-trifluoroacetic acid
CID 118743731
1-(Cyclopropylmethoxymethyl)-8-(cyclopropylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118744101
8-(Cyclopropylmethyl)-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 118744924
N-[[8-(2-methoxyethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]-N-methylpropan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745807
1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155841034
8-(Cyclopropylmethyl)-1-(prop-2-enoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155846172
2-[1-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155855537
N,N-dimethyl-2-[[8-(oxan-4-yl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methoxy]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155857156
N,N-dimethyl-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxamide
CID 97381711
3-Hydroxy-1-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]propan-1-one
CID 97405889

Frequently Asked Questions

What is the IUPAC name of 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid (CID 118742982) is 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid is CC(C)OCc1ncn2c1CN(CCO)CCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid?
The InChIKey is WIPPJVZCFHODLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.C2HF3O2/c1-11(2)18-9-12-13-8-15(6-7-17)4-3-5-16(13)10-14-12;3-2(4,5)1(6)7/h10-11,17H,3-9H2,1-2H3;(H,6,7).
What are the key properties of 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid?
2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid has a molecular weight of 367.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).