4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine

C13H16N4O — CID 50878774

IUPAC4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine
SMILESc1cc(-n2cnnc2)ccc1CN1CCOCC1
InChIInChI=1S/C13H16N4O/c1-3-13(17-10-14-15-11-17)4-2-12(1)9-16-5-7-18-8-6-16/h1-4,10-11H,5-9H2
InChIKeyCHSGUHPRTJKZIB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.10
Rot. Bonds3

About 4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine

4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine (PubChem CID 50878774) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine
PubChem CID50878774
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine
SMILESc1cc(-n2cnnc2)ccc1CN1CCOCC1
InChIInChI=1S/C13H16N4O/c1-3-13(17-10-14-15-11-17)4-2-12(1)9-16-5-7-18-8-6-16/h1-4,10-11H,5-9H2
InChIKeyCHSGUHPRTJKZIB-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-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine (CID 50878774) is 4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine is c1cc(-n2cnnc2)ccc1CN1CCOCC1.
What is the InChIKey of 4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine?
The InChIKey is CHSGUHPRTJKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-13(17-10-14-15-11-17)4-2-12(1)9-16-5-7-18-8-6-16/h1-4,10-11H,5-9H2.
What are the key properties of 4-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine?
4-[[4-(1,2,4-triazol-4-yl)phenyl]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-[[4-(1,2,4-triazol-4-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 50878774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).