1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one

C10H18N4O — CID 147213987

IUPAC1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C10H18N4O/c1-9(2,3)7(15)8-11-13-14(12-8)10(4,5)6/h1-6H3
InChIKeyCFTCHSQKPUBIOE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.66
Rot. Bonds1

About 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one

1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 147213987) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one
PubChem CID147213987
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1nnn(C(C)(C)C)n1
InChIInChI=1S/C10H18N4O/c1-9(2,3)7(15)8-11-13-14(12-8)10(4,5)6/h1-6H3
InChIKeyCFTCHSQKPUBIOE-UHFFFAOYSA-N
XLogP1.66
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Tert-butyltetrazol-5-yl)-3,3-dimethylbutan-2-one
CID 58297305
1-[5-(2,2-Dimethylpropyl)tetrazol-2-yl]propan-2-one
CID 134572277
2-Methyl-1-[2-(2-methylpropyl)tetrazol-5-yl]propan-1-one
CID 140915665
1-(2-tert-butyl-2H-1,2,3,4-tetrazol-5-yl)ethan-1-one
CID 156345557
2,2-Dimethyl-1-(2-methyltetrazol-5-yl)propan-1-one
CID 130905791
1-[1-(2-tert-butyl-2H-1,2,3,4-tetrazol-5-yl)cyclopropyl]ethan-1-one
CID 165697160
1-(2-tert-butyl-2H-1,2,3,4-tetrazol-5-yl)propan-2-one
CID 165837051

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one (CID 147213987) is 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1nnn(C(C)(C)C)n1.
What is the InChIKey of 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is CFTCHSQKPUBIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9(2,3)7(15)8-11-13-14(12-8)10(4,5)6/h1-6H3.
What are the key properties of 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one?
1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyltetrazol-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 147213987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).