1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

C16H24F3N3O4 — CID 155841034

IUPAC1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCn2cnc(COCC3CC3)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2.C2HF3O2/c1-18-7-6-16-4-5-17-11-15-13(14(17)8-16)10-19-9-12-2-3-12;3-2(4,5)1(6)7/h11-12H,2-10H2,1H3;(H,6,7)
InChIKeyAUJBEOIINPDFPC-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.90
Rot. Bonds7

About 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155841034) has the molecular formula C16H24F3N3O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155841034
Molecular FormulaC16H24F3N3O4
Molecular Weight379.38 g/mol
Exact Mass379.17
IUPAC Name1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCn2cnc(COCC3CC3)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H23N3O2.C2HF3O2/c1-18-7-6-16-4-5-17-11-15-13(14(17)8-16)10-19-9-12-2-3-12;3-2(4,5)1(6)7/h11-12H,2-10H2,1H3;(H,6,7)
InChIKeyAUJBEOIINPDFPC-UHFFFAOYSA-N
XLogP1.90
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155841034) is 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is COCCN1CCn2cnc(COCC3CC3)c2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is AUJBEOIINPDFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C2HF3O2/c1-18-7-6-16-4-5-17-11-15-13(14(17)8-16)10-19-9-12-2-3-12;3-2(4,5)1(6)7/h11-12H,2-10H2,1H3;(H,6,7).
What are the key properties of 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 379.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxymethyl)-7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155841034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).