N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide

C10H13F3N4O — CID 76848928

IUPACN-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide
SMILESCC(=O)N(C)c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C10H13F3N4O/c1-6(18)16(2)8-7-5-14-3-4-17(7)9(15-8)10(11,12)13/h14H,3-5H2,1-2H3
InChIKeyXBFWVNQWQYNHOM-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.99
Rot. Bonds1

About N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide

N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide (PubChem CID 76848928) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide
PubChem CID76848928
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide
SMILESCC(=O)N(C)c1nc(C(F)(F)F)n2c1CNCC2
InChIInChI=1S/C10H13F3N4O/c1-6(18)16(2)8-7-5-14-3-4-17(7)9(15-8)10(11,12)13/h14H,3-5H2,1-2H3
InChIKeyXBFWVNQWQYNHOM-UHFFFAOYSA-N
XLogP0.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide (CID 76848928) is N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide is CC(=O)N(C)c1nc(C(F)(F)F)n2c1CNCC2.
What is the InChIKey of N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide?
The InChIKey is XBFWVNQWQYNHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-6(18)16(2)8-7-5-14-3-4-17(7)9(15-8)10(11,12)13/h14H,3-5H2,1-2H3.
What are the key properties of N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide?
N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide has a molecular weight of 262.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide is sourced from PubChem (CID 76848928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).