2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone

C9H14N4O2 — CID 107047130

IUPAC2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCOCC2)n1
InChIInChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)6-8(14)7-2-4-15-5-3-7/h7H,2-6H2,1H3
InChIKeyYPQMZYIKVDLGBA-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.25
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone

2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone (PubChem CID 107047130) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
PubChem CID107047130
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCOCC2)n1
InChIInChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)6-8(14)7-2-4-15-5-3-7/h7H,2-6H2,1H3
InChIKeyYPQMZYIKVDLGBA-UHFFFAOYSA-N
XLogP-0.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone (CID 107047130) is 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone is Cn1nnc(CC(=O)C2CCOCC2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone?
The InChIKey is YPQMZYIKVDLGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)6-8(14)7-2-4-15-5-3-7/h7H,2-6H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone has a molecular weight of 210.24 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone is sourced from PubChem (CID 107047130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).