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

C17H19N5O — CID 154787561

IUPAC(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1Cc1cn(-c2cccc3cnccc23)nn1
InChIInChI=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
InChIKeyXGAWENUTRCFJDI-CYBMUJFWSA-N
MW309.37 g/mol
LogP2.04
Rot. Bonds3

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 CID154787561
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name(3R)-4-[(1-isoquinolin-5-yltriazol-4-yl)methyl]-3-methylmorpholine
SMILESC[C@@H]1COCCN1Cc1cn(-c2cccc3cnccc23)nn1
InChIInChI=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
InChIKeyXGAWENUTRCFJDI-CYBMUJFWSA-N
XLogP2.04
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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).