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

C9H14N4O2 — CID 130878911

IUPAC1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone
SMILESCn1nnc(C(=O)CC2CCCCO2)n1
InChIInChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)8(14)6-7-4-2-3-5-15-7/h7H,2-6H2,1H3
InChIKeyGXYGSMAVJFHFOZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.35
Rot. Bonds3

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

1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone (PubChem CID 130878911) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone
PubChem CID130878911
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone
SMILESCn1nnc(C(=O)CC2CCCCO2)n1
InChIInChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)8(14)6-7-4-2-3-5-15-7/h7H,2-6H2,1H3
InChIKeyGXYGSMAVJFHFOZ-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methyltetrazol-5-yl)-3-(oxolan-2-yl)propan-2-one
CID 107046861
1-(2-Methyltetrazol-5-yl)-3-(oxan-2-yl)propan-2-one
CID 107047453
1-(2-Methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one
CID 107063351
2-(2-Methyltetrazol-5-yl)-1-(oxan-2-yl)ethanone
CID 107063352
(2-Methyltetrazol-5-yl)-(oxan-3-yl)methanone
CID 127004607
1-(2-Methyltetrazol-5-yl)-2-(oxolan-2-yl)ethanone
CID 130920948

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone (CID 130878911) is 1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone is Cn1nnc(C(=O)CC2CCCCO2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone?
The InChIKey is GXYGSMAVJFHFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-11-9(10-12-13)8(14)6-7-4-2-3-5-15-7/h7H,2-6H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone?
1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone has a molecular weight of 210.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 130878911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).