N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine

C16H27N7O — CID 97383301

About N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine

N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine (PubChem CID 97383301) has the molecular formula C16H27N7O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
• PubChem CID: 97383301
• Molecular Formula: C16H27N7O
• Molecular Weight: 333.44 g/mol
• Exact Mass: 333.23
• IUPAC Name: N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine
• SMILES: CN(C)CCOC[C@H]1CN(Cc2cnn(C)c2)Cc2nnn(C)c21
• InChI: InChI=1S/C16H27N7O/c1-20(2)5-6-24-12-14-10-23(9-13-7-17-21(3)8-13)11-15-16(14)22(4)19-18-15/h7-8,14H,5-6,9-12H2,1-4H3/t14-/m1/s1
• InChIKey: TZJAQIBGFFZALY-CQSZACIVSA-N
• XLogP: 0.23
• TPSA: 64.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.44
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?

The IUPAC name of N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine (CID 97383301) is N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine.

What is the SMILES notation for N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?

The canonical SMILES for N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine is CN(C)CCOC[C@H]1CN(Cc2cnn(C)c2)Cc2nnn(C)c21.

What is the InChIKey of N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?

The InChIKey is TZJAQIBGFFZALY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N7O/c1-20(2)5-6-24-12-14-10-23(9-13-7-17-21(3)8-13)11-15-16(14)22(4)19-18-15/h7-8,14H,5-6,9-12H2,1-4H3/t14-/m1/s1.

What are the key properties of N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine?

N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine has a molecular weight of 333.44 g/mol, XLogP of 0.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[(7S)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]ethanamine is sourced from PubChem (CID 97383301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).