1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one

C9H14N4O2 — CID 51076698

IUPAC1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cncn1
InChIInChI=1S/C9H14N4O2/c1-8(13-7-10-6-11-13)9(14)12-2-4-15-5-3-12/h6-8H,2-5H2,1H3
InChIKeyAUEFAYIJONZWAU-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.30
Rot. Bonds2

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

1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 51076698) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID51076698
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cncn1
InChIInChI=1S/C9H14N4O2/c1-8(13-7-10-6-11-13)9(14)12-2-4-15-5-3-12/h6-8H,2-5H2,1H3
InChIKeyAUEFAYIJONZWAU-UHFFFAOYSA-N
XLogP-0.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one (CID 51076698) is 1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C(=O)N1CCOCC1)n1cncn1.
What is the InChIKey of 1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is AUEFAYIJONZWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-8(13-7-10-6-11-13)9(14)12-2-4-15-5-3-12/h6-8H,2-5H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one?
1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 210.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 51076698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).