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

C11H20N4O — CID 62721828

IUPAC2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine
SMILESCC(C)Cc1nc(C2CNCCO2)n(C)n1
InChIInChI=1S/C11H20N4O/c1-8(2)6-10-13-11(15(3)14-10)9-7-12-4-5-16-9/h8-9,12H,4-7H2,1-3H3
InChIKeySQHGZBFUSNEWHU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.67
Rot. Bonds3

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

2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 62721828) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID62721828
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine
SMILESCC(C)Cc1nc(C2CNCCO2)n(C)n1
InChIInChI=1S/C11H20N4O/c1-8(2)6-10-13-11(15(3)14-10)9-7-12-4-5-16-9/h8-9,12H,4-7H2,1-3H3
InChIKeySQHGZBFUSNEWHU-UHFFFAOYSA-N
XLogP0.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine (CID 62721828) is 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine is CC(C)Cc1nc(C2CNCCO2)n(C)n1.
What is the InChIKey of 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is SQHGZBFUSNEWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)6-10-13-11(15(3)14-10)9-7-12-4-5-16-9/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine?
2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 224.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 62721828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).