1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one

C18H24N4O2 — CID 97368730

About 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one

1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one (PubChem CID 97368730) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one
• PubChem CID: 97368730
• Molecular Formula: C18H24N4O2
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.19
• IUPAC Name: 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one
• SMILES: COC[C@H]1c2nnn(C)c2CCN1C(=O)CCc1ccccc1C
• InChI: InChI=1S/C18H24N4O2/c1-13-6-4-5-7-14(13)8-9-17(23)22-11-10-15-18(16(22)12-24-3)19-20-21(15)2/h4-7,16H,8-12H2,1-3H3/t16-/m0/s1
• InChIKey: NTIDYYXITGKRIQ-INIZCTEOSA-N
• XLogP: 1.83
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one?

The IUPAC name of 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one (CID 97368730) is 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one.

What is the SMILES notation for 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one?

The canonical SMILES for 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one is COC[C@H]1c2nnn(C)c2CCN1C(=O)CCc1ccccc1C.

What is the InChIKey of 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one?

The InChIKey is NTIDYYXITGKRIQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-4-5-7-14(13)8-9-17(23)22-11-10-15-18(16(22)12-24-3)19-20-21(15)2/h4-7,16H,8-12H2,1-3H3/t16-/m0/s1.

What are the key properties of 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one?

1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R)-4-(methoxymethyl)-1-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 97368730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).