4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine

C11H20N4O — CID 129175049

IUPAC4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1c(N2CCOCC2)nnc1C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-11(2,3)9-12-13-10(14(9)4)15-5-7-16-8-6-15/h5-8H2,1-4H3
InChIKeyRCAQDXIRFXGCNX-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.95
Rot. Bonds1

About 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine

4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129175049) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129175049
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine
SMILESCn1c(N2CCOCC2)nnc1C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-11(2,3)9-12-13-10(14(9)4)15-5-7-16-8-6-15/h5-8H2,1-4H3
InChIKeyRCAQDXIRFXGCNX-UHFFFAOYSA-N
XLogP0.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine (CID 129175049) is 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine is Cn1c(N2CCOCC2)nnc1C(C)(C)C.
What is the InChIKey of 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is RCAQDXIRFXGCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)9-12-13-10(14(9)4)15-5-7-16-8-6-15/h5-8H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine?
4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 224.31 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-4-methyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129175049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).