N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)

C16H24F6N4O4 — CID 155842079

IUPACN,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1Cc2cncn2C(CN(C)C)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4.2C2HF3O2/c1-10(2)15-7-11-5-13-9-16(11)12(8-15)6-14(3)4;2*3-2(4,5)1(6)7/h5,9-10,12H,6-8H2,1-4H3;2*(H,6,7)
InChIKeyZAMGWSWCIMZXFZ-UHFFFAOYSA-N
MW450.38 g/mol
LogP2.48
Rot. Bonds3

About N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)

N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155842079) has the molecular formula C16H24F6N4O4 and a molecular weight of 450.38 g/mol. Its IUPAC name is N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155842079
Molecular FormulaC16H24F6N4O4
Molecular Weight450.38 g/mol
Exact Mass450.17
IUPAC NameN,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1Cc2cncn2C(CN(C)C)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4.2C2HF3O2/c1-10(2)15-7-11-5-13-9-16(11)12(8-15)6-14(3)4;2*3-2(4,5)1(6)7/h5,9-10,12H,6-8H2,1-4H3;2*(H,6,7)
InChIKeyZAMGWSWCIMZXFZ-UHFFFAOYSA-N
XLogP2.48
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) (CID 155842079) is N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) is CC(C)N1Cc2cncn2C(CN(C)C)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ZAMGWSWCIMZXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.2C2HF3O2/c1-10(2)15-7-11-5-13-9-16(11)12(8-15)6-14(3)4;2*3-2(4,5)1(6)7/h5,9-10,12H,6-8H2,1-4H3;2*(H,6,7).
What are the key properties of N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 450.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155842079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).