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

C12H18F3N3 — CID 138640808

IUPAC7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCCN1CCn2c(C(F)(F)F)nc(C(C)C)c2C1
InChIInChI=1S/C12H18F3N3/c1-4-17-5-6-18-9(7-17)10(8(2)3)16-11(18)12(13,14)15/h8H,4-7H2,1-3H3
InChIKeyKOJGXZUBSHAWGO-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.86
Rot. Bonds2

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

7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 138640808) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID138640808
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCCN1CCn2c(C(F)(F)F)nc(C(C)C)c2C1
InChIInChI=1S/C12H18F3N3/c1-4-17-5-6-18-9(7-17)10(8(2)3)16-11(18)12(13,14)15/h8H,4-7H2,1-3H3
InChIKeyKOJGXZUBSHAWGO-UHFFFAOYSA-N
XLogP2.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 138640808) is 7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CCN1CCn2c(C(F)(F)F)nc(C(C)C)c2C1.
What is the InChIKey of 7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is KOJGXZUBSHAWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-4-17-5-6-18-9(7-17)10(8(2)3)16-11(18)12(13,14)15/h8H,4-7H2,1-3H3.
What are the key properties of 7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 261.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 138640808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).