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

C15H22F3N3O3 — CID 118742724

IUPAC3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(COCC3CC3)n2CCN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C13H21N3O.C2HF3O2/c1-10-13-14-7-12(9-17-8-11-3-4-11)16(13)6-5-15(10)2;3-2(4,5)1(6)7/h7,10-11H,3-6,8-9H2,1-2H3;(H,6,7)
InChIKeyLMFNFFHEBDCOBW-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.45
Rot. Bonds4

About 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid

3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 118742724) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID118742724
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(COCC3CC3)n2CCN1C.O=C(O)C(F)(F)F
InChIInChI=1S/C13H21N3O.C2HF3O2/c1-10-13-14-7-12(9-17-8-11-3-4-11)16(13)6-5-15(10)2;3-2(4,5)1(6)7/h7,10-11H,3-6,8-9H2,1-2H3;(H,6,7)
InChIKeyLMFNFFHEBDCOBW-UHFFFAOYSA-N
XLogP2.45
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid (CID 118742724) is 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is CC1c2ncc(COCC3CC3)n2CCN1C.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is LMFNFFHEBDCOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.C2HF3O2/c1-10-13-14-7-12(9-17-8-11-3-4-11)16(13)6-5-15(10)2;3-2(4,5)1(6)7/h7,10-11H,3-6,8-9H2,1-2H3;(H,6,7).
What are the key properties of 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid?
3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 349.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).