2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone

C15H26N4O2 — CID 79665135

IUPAC2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)Cn1ncnc1CC(=O)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H26N4O2/c1-11(2)8-19-15(16-10-17-19)7-13(20)14-9-18(12(3)4)5-6-21-14/h10-12,14H,5-9H2,1-4H3
InChIKeyABBLTAMOCNKUDJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.15
Rot. Bonds6

About 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone

2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone (PubChem CID 79665135) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone
PubChem CID79665135
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone
SMILESCC(C)Cn1ncnc1CC(=O)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H26N4O2/c1-11(2)8-19-15(16-10-17-19)7-13(20)14-9-18(12(3)4)5-6-21-14/h10-12,14H,5-9H2,1-4H3
InChIKeyABBLTAMOCNKUDJ-UHFFFAOYSA-N
XLogP1.15
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The IUPAC name of 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone (CID 79665135) is 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone.
What is the SMILES notation for 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The canonical SMILES for 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone is CC(C)Cn1ncnc1CC(=O)C1CN(C(C)C)CCO1.
What is the InChIKey of 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
The InChIKey is ABBLTAMOCNKUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11(2)8-19-15(16-10-17-19)7-13(20)14-9-18(12(3)4)5-6-21-14/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone?
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone has a molecular weight of 294.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propan-2-ylmorpholin-2-yl)ethanone is sourced from PubChem (CID 79665135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).