2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone

C9H12N4O2 — CID 130764008

IUPAC2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
SMILESCn1nnc(CC(=O)C2C3COCC32)n1
InChIInChI=1S/C9H12N4O2/c1-13-11-8(10-12-13)2-7(14)9-5-3-15-4-6(5)9/h5-6,9H,2-4H2,1H3
InChIKeyQADOKLZHWOVRCO-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.79
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone

2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone (PubChem CID 130764008) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
PubChem CID130764008
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
SMILESCn1nnc(CC(=O)C2C3COCC32)n1
InChIInChI=1S/C9H12N4O2/c1-13-11-8(10-12-13)2-7(14)9-5-3-15-4-6(5)9/h5-6,9H,2-4H2,1H3
InChIKeyQADOKLZHWOVRCO-UHFFFAOYSA-N
XLogP-0.79
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
CID 147406239
1-(2-Ethyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 105743941
2-(2-Methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanone
CID 107047127
2-(2-Methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
CID 107047130
2-(2-Methyltetrazol-5-yl)-1-(oxan-3-yl)ethanone
CID 107047134
1-(2-Methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047316
1-(2-Methyltetrazol-5-yl)-3-(oxolan-3-yl)propan-2-one
CID 107047444
2-(2-Methyltetrazol-5-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanone
CID 107063194
1-(3-Methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063208
1-(5-Methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063298
1-(2-Methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063490
1-(2-Methyltetrazol-5-yl)-2-(oxolan-3-yl)ethanone
CID 131043010

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone (CID 130764008) is 2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone is Cn1nnc(CC(=O)C2C3COCC32)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone?
The InChIKey is QADOKLZHWOVRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-13-11-8(10-12-13)2-7(14)9-5-3-15-4-6(5)9/h5-6,9H,2-4H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone?
2-(2-methyltetrazol-5-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone has a molecular weight of 208.22 g/mol, XLogP of -0.79, 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-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone is sourced from PubChem (CID 130764008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).