2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine

C16H25N7O2 — CID 134072206

About 2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine

2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine (PubChem CID 134072206) has the molecular formula C16H25N7O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine.

Molecular Properties

• Compound Name: 2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine
• PubChem CID: 134072206
• Molecular Formula: C16H25N7O2
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.21
• IUPAC Name: 2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine
• SMILES: COc1cc(N2Cc3nnn(C)c3C(COCCN(C)C)C2)ncn1
• InChI: InChI=1S/C16H25N7O2/c1-21(2)5-6-25-10-12-8-23(9-13-16(12)22(3)20-19-13)14-7-15(24-4)18-11-17-14/h7,11-12H,5-6,8-10H2,1-4H3
• InChIKey: YSDCVTUTJAPWOT-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 81.43 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine (CID 134072206) is 2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine.

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

The canonical SMILES for 2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine is COc1cc(N2Cc3nnn(C)c3C(COCCN(C)C)C2)ncn1.

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

The InChIKey is YSDCVTUTJAPWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O2/c1-21(2)5-6-25-10-12-8-23(9-13-16(12)22(3)20-19-13)14-7-15(24-4)18-11-17-14/h7,11-12H,5-6,8-10H2,1-4H3.

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

2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine has a molecular weight of 347.42 g/mol, XLogP of 0.30, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(6-methoxypyrimidin-4-yl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 134072206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).