1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine

C12H14F3N3 — CID 167182931

IUPAC1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESCCC(C)(C)c1nc(C(F)(F)F)n2ccncc12
InChIInChI=1S/C12H14F3N3/c1-4-11(2,3)9-8-7-16-5-6-18(8)10(17-9)12(13,14)15/h5-7H,4H2,1-3H3
InChIKeyFLPGJGVUCJTNFY-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.44
Rot. Bonds2

About 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine

1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (PubChem CID 167182931) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
PubChem CID167182931
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESCCC(C)(C)c1nc(C(F)(F)F)n2ccncc12
InChIInChI=1S/C12H14F3N3/c1-4-11(2,3)9-8-7-16-5-6-18(8)10(17-9)12(13,14)15/h5-7H,4H2,1-3H3
InChIKeyFLPGJGVUCJTNFY-UHFFFAOYSA-N
XLogP3.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (CID 167182931) is 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is CCC(C)(C)c1nc(C(F)(F)F)n2ccncc12.
What is the InChIKey of 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The InChIKey is FLPGJGVUCJTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-4-11(2,3)9-8-7-16-5-6-18(8)10(17-9)12(13,14)15/h5-7H,4H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine has a molecular weight of 257.26 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 167182931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).