N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid

C17H24F3N7O3 — CID 155841806

IUPACN,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(N2CCn3c(COCCN(C)C)nnc3C2)nn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N7O.C2HF3O2/c1-12-4-5-13(17-16-12)21-6-7-22-14(10-21)18-19-15(22)11-23-9-8-20(2)3;3-2(4,5)1(6)7/h4-5H,6-11H2,1-3H3;(H,6,7)
InChIKeyASZSIRWZBKJKME-UHFFFAOYSA-N
MW431.42 g/mol
LogP1.11
Rot. Bonds6

About N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 155841806) has the molecular formula C17H24F3N7O3 and a molecular weight of 431.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid
PubChem CID155841806
Molecular FormulaC17H24F3N7O3
Molecular Weight431.42 g/mol
Exact Mass431.19
IUPAC NameN,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid
SMILESCc1ccc(N2CCn3c(COCCN(C)C)nnc3C2)nn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N7O.C2HF3O2/c1-12-4-5-13(17-16-12)21-6-7-22-14(10-21)18-19-15(22)11-23-9-8-20(2)3;3-2(4,5)1(6)7/h4-5H,6-11H2,1-3H3;(H,6,7)
InChIKeyASZSIRWZBKJKME-UHFFFAOYSA-N
XLogP1.11
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid (CID 155841806) is N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid is Cc1ccc(N2CCn3c(COCCN(C)C)nnc3C2)nn1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is ASZSIRWZBKJKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O.C2HF3O2/c1-12-4-5-13(17-16-12)21-6-7-22-14(10-21)18-19-15(22)11-23-9-8-20(2)3;3-2(4,5)1(6)7/h4-5H,6-11H2,1-3H3;(H,6,7).
What are the key properties of N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid?
N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 431.42 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[7-(6-methylpyridazin-3-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methoxy]ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155841806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).