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

C18H28F6N4O4 — CID 155862984

IUPACN-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCCN(CC)CC1CN(C(C)C)Cc2cncn21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H26N4.2C2HF3O2/c1-5-16(6-2)8-14-10-17(12(3)4)9-13-7-15-11-18(13)14;2*3-2(4,5)1(6)7/h7,11-12,14H,5-6,8-10H2,1-4H3;2*(H,6,7)
InChIKeyISNOLZPVGVNECU-UHFFFAOYSA-N
MW478.43 g/mol
LogP3.26
Rot. Bonds5

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

N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155862984) has the molecular formula C18H28F6N4O4 and a molecular weight of 478.43 g/mol. Its IUPAC name is N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155862984
Molecular FormulaC18H28F6N4O4
Molecular Weight478.43 g/mol
Exact Mass478.20
IUPAC NameN-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
SMILESCCN(CC)CC1CN(C(C)C)Cc2cncn21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H26N4.2C2HF3O2/c1-5-16(6-2)8-14-10-17(12(3)4)9-13-7-15-11-18(13)14;2*3-2(4,5)1(6)7/h7,11-12,14H,5-6,8-10H2,1-4H3;2*(H,6,7)
InChIKeyISNOLZPVGVNECU-UHFFFAOYSA-N
XLogP3.26
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) (CID 155862984) is N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) is CCN(CC)CC1CN(C(C)C)Cc2cncn21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ISNOLZPVGVNECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4.2C2HF3O2/c1-5-16(6-2)8-14-10-17(12(3)4)9-13-7-15-11-18(13)14;2*3-2(4,5)1(6)7/h7,11-12,14H,5-6,8-10H2,1-4H3;2*(H,6,7).
What are the key properties of N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)?
N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 478.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155862984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).