4-[(1-phenyltriazol-4-yl)methyl]morpholine

C13H16N4O — CID 12636790

IUPAC4-[(1-phenyltriazol-4-yl)methyl]morpholine
SMILESc1ccc(-n2cc(CN3CCOCC3)nn2)cc1
InChIInChI=1S/C13H16N4O/c1-2-4-13(5-3-1)17-11-12(14-15-17)10-16-6-8-18-9-7-16/h1-5,11H,6-10H2
InChIKeyNDHISSLFBAZPQK-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.10
Rot. Bonds3

About 4-[(1-phenyltriazol-4-yl)methyl]morpholine

4-[(1-phenyltriazol-4-yl)methyl]morpholine (PubChem CID 12636790) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[(1-phenyltriazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-phenyltriazol-4-yl)methyl]morpholine
PubChem CID12636790
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[(1-phenyltriazol-4-yl)methyl]morpholine
SMILESc1ccc(-n2cc(CN3CCOCC3)nn2)cc1
InChIInChI=1S/C13H16N4O/c1-2-4-13(5-3-1)17-11-12(14-15-17)10-16-6-8-18-9-7-16/h1-5,11H,6-10H2
InChIKeyNDHISSLFBAZPQK-UHFFFAOYSA-N
XLogP1.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenyltriazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(1-phenyltriazol-4-yl)methyl]morpholine (CID 12636790) is 4-[(1-phenyltriazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-phenyltriazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-phenyltriazol-4-yl)methyl]morpholine is c1ccc(-n2cc(CN3CCOCC3)nn2)cc1.
What is the InChIKey of 4-[(1-phenyltriazol-4-yl)methyl]morpholine?
The InChIKey is NDHISSLFBAZPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-4-13(5-3-1)17-11-12(14-15-17)10-16-6-8-18-9-7-16/h1-5,11H,6-10H2.
What are the key properties of 4-[(1-phenyltriazol-4-yl)methyl]morpholine?
4-[(1-phenyltriazol-4-yl)methyl]morpholine has a molecular weight of 244.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenyltriazol-4-yl)methyl]morpholine is sourced from PubChem (CID 12636790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).