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

C18H26N4O — CID 151608461

IUPAC4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1nc(CN2CCOCC2)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N4O/c1-18(2,3)15-7-5-14(6-8-15)17-19-16(20-21(17)4)13-22-9-11-23-12-10-22/h5-8H,9-13H2,1-4H3
InChIKeyQLZDJNIQKMINJE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.61
Rot. Bonds3

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

4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 151608461) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID151608461
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1nc(CN2CCOCC2)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H26N4O/c1-18(2,3)15-7-5-14(6-8-15)17-19-16(20-21(17)4)13-22-9-11-23-12-10-22/h5-8H,9-13H2,1-4H3
InChIKeyQLZDJNIQKMINJE-UHFFFAOYSA-N
XLogP2.61
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine (CID 151608461) is 4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine is Cn1nc(CN2CCOCC2)nc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is QLZDJNIQKMINJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-18(2,3)15-7-5-14(6-8-15)17-19-16(20-21(17)4)13-22-9-11-23-12-10-22/h5-8H,9-13H2,1-4H3.
What are the key properties of 4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 314.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 151608461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).