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

C9H14N4O2 — CID 102738612

IUPAC1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCO1)n1cncn1
InChIInChI=1S/C9H14N4O2/c1-8(12-7-10-6-11-12)9(14)13-4-2-3-5-15-13/h6-8H,2-5H2,1H3
InChIKeyNXOZVEMZHYNPAR-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.39
Rot. Bonds2

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

1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 102738612) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID102738612
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCCCO1)n1cncn1
InChIInChI=1S/C9H14N4O2/c1-8(12-7-10-6-11-12)9(14)13-4-2-3-5-15-13/h6-8H,2-5H2,1H3
InChIKeyNXOZVEMZHYNPAR-UHFFFAOYSA-N
XLogP0.39
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 ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (CID 102738612) is 1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C(=O)N1CCCCO1)n1cncn1.
What is the InChIKey of 1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is NXOZVEMZHYNPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-8(12-7-10-6-11-12)9(14)13-4-2-3-5-15-13/h6-8H,2-5H2,1H3.
What are the key properties of 1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 210.24 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 102738612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).