(1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

C11H13F3N4O — CID 166261784

IUPAC(1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESNC1(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)CC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-16-5-7-6-17(3-4-18(7)8)9(19)10(15)1-2-10/h5H,1-4,6,15H2
InChIKeyYNABZMYVHCFOMA-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.74
Rot. Bonds1

About (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone

(1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 166261784) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
PubChem CID166261784
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name(1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
SMILESNC1(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)CC1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)8-16-5-7-6-17(3-4-18(7)8)9(19)10(15)1-2-10/h5H,1-4,6,15H2
InChIKeyYNABZMYVHCFOMA-UHFFFAOYSA-N
XLogP0.74
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone (CID 166261784) is (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is NC1(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
The InChIKey is YNABZMYVHCFOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)8-16-5-7-6-17(3-4-18(7)8)9(19)10(15)1-2-10/h5H,1-4,6,15H2.
What are the key properties of (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone?
(1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 274.25 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 166261784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).