4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine

C9H16N4O — CID 21132327

IUPAC4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCc1nc(CN2CCOCC2)nn1C
InChIInChI=1S/C9H16N4O/c1-8-10-9(11-12(8)2)7-13-3-5-14-6-4-13/h3-7H2,1-2H3
InChIKeyOKVOKNWLXVMINL-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.04
Rot. Bonds2

About 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine

4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine (PubChem CID 21132327) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine
PubChem CID21132327
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine
SMILESCc1nc(CN2CCOCC2)nn1C
InChIInChI=1S/C9H16N4O/c1-8-10-9(11-12(8)2)7-13-3-5-14-6-4-13/h3-7H2,1-2H3
InChIKeyOKVOKNWLXVMINL-UHFFFAOYSA-N
XLogP-0.04
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine?
The IUPAC name of 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine (CID 21132327) is 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine is Cc1nc(CN2CCOCC2)nn1C.
What is the InChIKey of 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine?
The InChIKey is OKVOKNWLXVMINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8-10-9(11-12(8)2)7-13-3-5-14-6-4-13/h3-7H2,1-2H3.
What are the key properties of 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine?
4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine has a molecular weight of 196.25 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]morpholine is sourced from PubChem (CID 21132327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).