2-(triazol-1-ylmethyl)morpholine

C7H12N4O — CID 18329925

IUPAC2-(triazol-1-ylmethyl)morpholine
SMILESc1cn(CC2CNCCO2)nn1
InChIInChI=1S/C7H12N4O/c1-3-11(10-9-1)6-7-5-8-2-4-12-7/h1,3,7-8H,2,4-6H2
InChIKeyOQVKNUFHZYWIPE-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.73
Rot. Bonds2

About 2-(triazol-1-ylmethyl)morpholine

2-(triazol-1-ylmethyl)morpholine (PubChem CID 18329925) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name2-(triazol-1-ylmethyl)morpholine
PubChem CID18329925
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(triazol-1-ylmethyl)morpholine
SMILESc1cn(CC2CNCCO2)nn1
InChIInChI=1S/C7H12N4O/c1-3-11(10-9-1)6-7-5-8-2-4-12-7/h1,3,7-8H,2,4-6H2
InChIKeyOQVKNUFHZYWIPE-UHFFFAOYSA-N
XLogP-0.73
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-1-ylmethyl)morpholine?
The IUPAC name of 2-(triazol-1-ylmethyl)morpholine (CID 18329925) is 2-(triazol-1-ylmethyl)morpholine.
What is the SMILES notation for 2-(triazol-1-ylmethyl)morpholine?
The canonical SMILES for 2-(triazol-1-ylmethyl)morpholine is c1cn(CC2CNCCO2)nn1.
What is the InChIKey of 2-(triazol-1-ylmethyl)morpholine?
The InChIKey is OQVKNUFHZYWIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-11(10-9-1)6-7-5-8-2-4-12-7/h1,3,7-8H,2,4-6H2.
What are the key properties of 2-(triazol-1-ylmethyl)morpholine?
2-(triazol-1-ylmethyl)morpholine has a molecular weight of 168.20 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 18329925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).