(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine

C₁₇H₁₉N₅O — CID 154787561

About (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine

(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine (PubChem CID 154787561) has the molecular formula C₁₇H₁₉N₅O and a molecular weight of 309.37 g/mol. Its IUPAC name is (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine.

Molecular Properties

• Compound Name: (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine
• PubChem CID: 154787561
• Molecular Formula: C₁₇H₁₉N₅O
• Molecular Weight: 309.37 g/mol
• Exact Mass: 309.16
• IUPAC Name: (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine
• SMILES: C[C@@H]1COCCN1Cc1cn(-c2cccc3cnccc23)nn1
• InChI: InChI=1S/C17H19N5O/c1-13-12-23-8-7-21(13)10-15-11-22(20-19-15)17-4-2-3-14-9-18-6-5-16(14)17/h2-6,9,11,13H,7-8,10,12H2,1H3/t13-/m1/s1
• InChIKey: XGAWENUTRCFJDI-CYBMUJFWSA-N
• XLogP: 2.04
• TPSA: 56.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.37
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine?

The IUPAC name of (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine (CID 154787561) is (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine.

What is the SMILES notation for (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine?

The canonical SMILES for (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine is C[C@@H]1COCCN1Cc1cn(-c2cccc3cnccc23)nn1.

What is the InChIKey of (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine?

The InChIKey is XGAWENUTRCFJDI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13-12-23-8-7-21(13)10-15-11-22(20-19-15)17-4-2-3-14-9-18-6-5-16(14)17/h2-6,9,11,13H,7-8,10,12H2,1H3/t13-/m1/s1.

What are the key properties of (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine?

(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine has a molecular weight of 309.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine is sourced from PubChem (CID 154787561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154787561 — identifiers, structure, computed properties (public domain)

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