1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone

C10H15N3O2 — CID 107062983

IUPAC1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCC1OCCC1C(=O)Cc1cn(C)nn1
InChIInChI=1S/C10H15N3O2/c1-7-9(3-4-15-7)10(14)5-8-6-13(2)12-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyXNMNJAFNKGTOID-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.35
Rot. Bonds3

About 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone

1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone (PubChem CID 107062983) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone
PubChem CID107062983
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone
SMILESCC1OCCC1C(=O)Cc1cn(C)nn1
InChIInChI=1S/C10H15N3O2/c1-7-9(3-4-15-7)10(14)5-8-6-13(2)12-11-8/h6-7,9H,3-5H2,1-2H3
InChIKeyXNMNJAFNKGTOID-UHFFFAOYSA-N
XLogP0.35
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone?
The IUPAC name of 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone (CID 107062983) is 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone is CC1OCCC1C(=O)Cc1cn(C)nn1.
What is the InChIKey of 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone?
The InChIKey is XNMNJAFNKGTOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-9(3-4-15-7)10(14)5-8-6-13(2)12-11-8/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone?
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone has a molecular weight of 209.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanone is sourced from PubChem (CID 107062983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).