1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one

C10H16N4O2 — CID 53498149

IUPAC1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCn2cncn2)CCO1
InChIInChI=1S/C10H16N4O2/c1-9-6-13(4-5-16-9)10(15)2-3-14-8-11-7-12-14/h7-9H,2-6H2,1H3
InChIKeyYMQASRXWKUCEEA-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.08
Rot. Bonds3

About 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one

1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 53498149) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID53498149
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCn2cncn2)CCO1
InChIInChI=1S/C10H16N4O2/c1-9-6-13(4-5-16-9)10(15)2-3-14-8-11-7-12-14/h7-9H,2-6H2,1H3
InChIKeyYMQASRXWKUCEEA-UHFFFAOYSA-N
XLogP-0.08
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one (CID 53498149) is 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one is CC1CN(C(=O)CCn2cncn2)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is YMQASRXWKUCEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-9-6-13(4-5-16-9)10(15)2-3-14-8-11-7-12-14/h7-9H,2-6H2,1H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one?
1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 224.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 53498149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).