1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one

C11H18N4O2 — CID 107063351

IUPAC1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one
SMILESCn1nnc(CC(=O)CCC2CCCCO2)n1
InChIInChI=1S/C11H18N4O2/c1-15-13-11(12-14-15)8-9(16)5-6-10-4-2-3-7-17-10/h10H,2-8H2,1H3
InChIKeyGWVRGQJSZAKVFO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.67
Rot. Bonds5

About 1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one

1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one (PubChem CID 107063351) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one
PubChem CID107063351
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one
SMILESCn1nnc(CC(=O)CCC2CCCCO2)n1
InChIInChI=1S/C11H18N4O2/c1-15-13-11(12-14-15)8-9(16)5-6-10-4-2-3-7-17-10/h10H,2-8H2,1H3
InChIKeyGWVRGQJSZAKVFO-UHFFFAOYSA-N
XLogP0.67
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.67
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-Cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047542
Ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate
CID 107054460
5-Methoxy-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107063292
2-(2-Methyltetrazol-5-yl)-1-(oxan-2-yl)ethanone
CID 107063352
1-(2-Methyltetrazol-5-yl)-4-(oxolan-2-yl)butan-2-one
CID 107063507
5-Ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107063582
1-(2-Methyltetrazol-5-yl)-2-(oxan-2-yl)ethanone
CID 130878911

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one (CID 107063351) is 1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one is Cn1nnc(CC(=O)CCC2CCCCO2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one?
The InChIKey is GWVRGQJSZAKVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-13-11(12-14-15)8-9(16)5-6-10-4-2-3-7-17-10/h10H,2-8H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one?
1-(2-methyltetrazol-5-yl)-4-(oxan-2-yl)butan-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.67, 5 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)-4-(oxan-2-yl)butan-2-one is sourced from PubChem (CID 107063351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).