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

C11H20N4O — CID 66433751

IUPAC2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCC(C)Cn1cnnc1CC1CNCCO1
InChIInChI=1S/C11H20N4O/c1-9(2)7-15-8-13-14-11(15)5-10-6-12-3-4-16-10/h8-10,12H,3-7H2,1-2H3
InChIKeyGAFXSGDXKMDELJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.47
Rot. Bonds4

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

2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 66433751) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID66433751
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCC(C)Cn1cnnc1CC1CNCCO1
InChIInChI=1S/C11H20N4O/c1-9(2)7-15-8-13-14-11(15)5-10-6-12-3-4-16-10/h8-10,12H,3-7H2,1-2H3
InChIKeyGAFXSGDXKMDELJ-UHFFFAOYSA-N
XLogP0.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine (CID 66433751) is 2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine is CC(C)Cn1cnnc1CC1CNCCO1.
What is the InChIKey of 2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is GAFXSGDXKMDELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)7-15-8-13-14-11(15)5-10-6-12-3-4-16-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine?
2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 224.31 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 66433751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).