1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one

C14H24N4O2 — CID 129255658

IUPAC1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one
SMILESCC(C)(C)C1CN(C(=O)CCCc2ncn[nH]2)CCO1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)11-9-18(7-8-20-11)13(19)6-4-5-12-15-10-16-17-12/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQOHBVQOVWRYUCW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one

1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one (PubChem CID 129255658) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one
PubChem CID129255658
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one
SMILESCC(C)(C)C1CN(C(=O)CCCc2ncn[nH]2)CCO1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)11-9-18(7-8-20-11)13(19)6-4-5-12-15-10-16-17-12/h10-11H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQOHBVQOVWRYUCW-UHFFFAOYSA-N
XLogP1.40
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one?
The IUPAC name of 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one (CID 129255658) is 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one?
The canonical SMILES for 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one is CC(C)(C)C1CN(C(=O)CCCc2ncn[nH]2)CCO1.
What is the InChIKey of 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one?
The InChIKey is QOHBVQOVWRYUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)11-9-18(7-8-20-11)13(19)6-4-5-12-15-10-16-17-12/h10-11H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one?
1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one has a molecular weight of 280.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylmorpholin-4-yl)-4-(1H-1,2,4-triazol-5-yl)butan-1-one is sourced from PubChem (CID 129255658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).