1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one

C9H16N4O2 — CID 107063283

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)COC(C)(C)C)n1
InChIInChI=1S/C9H16N4O2/c1-9(2,3)15-6-7(14)5-8-10-12-13(4)11-8/h5-6H2,1-4H3
InChIKeyRRZBZNPIGLUSKM-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.14
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one

1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107063283) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107063283
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCn1nnc(CC(=O)COC(C)(C)C)n1
InChIInChI=1S/C9H16N4O2/c1-9(2,3)15-6-7(14)5-8-10-12-13(4)11-8/h5-6H2,1-4H3
InChIKeyRRZBZNPIGLUSKM-UHFFFAOYSA-N
XLogP0.14
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methyltetrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 107047663
1-(2-Methyltetrazol-5-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 107047666
1-Methoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107046931
1-(2-Methyltetrazol-5-yl)-3-propoxypropan-2-one
CID 107046955
3-Ethoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047078
1-Ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047179
3-Methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047268
1,1-Dimethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047275
1,1-Diethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047277
3-Methoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047283
3-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047478
3-Ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047481

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107063283) is 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one is Cn1nnc(CC(=O)COC(C)(C)C)n1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is RRZBZNPIGLUSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-9(2,3)15-6-7(14)5-8-10-12-13(4)11-8/h5-6H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one?
1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 212.25 g/mol, XLogP of 0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107063283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).