5-(2-ethoxypropan-2-yl)-2H-tetrazole

C6H12N4O — CID 116701279

IUPAC5-(2-ethoxypropan-2-yl)-2H-tetrazole
SMILESCCOC(C)(C)c1nn[nH]n1
InChIInChI=1S/C6H12N4O/c1-4-11-6(2,3)5-7-9-10-8-5/h4H2,1-3H3,(H,7,8,9,10)
InChIKeyMLBGQEBRWAIVHK-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.47
Rot. Bonds3

About 5-(2-ethoxypropan-2-yl)-2H-tetrazole

5-(2-ethoxypropan-2-yl)-2H-tetrazole (PubChem CID 116701279) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-(2-ethoxypropan-2-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-ethoxypropan-2-yl)-2H-tetrazole
PubChem CID116701279
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-(2-ethoxypropan-2-yl)-2H-tetrazole
SMILESCCOC(C)(C)c1nn[nH]n1
InChIInChI=1S/C6H12N4O/c1-4-11-6(2,3)5-7-9-10-8-5/h4H2,1-3H3,(H,7,8,9,10)
InChIKeyMLBGQEBRWAIVHK-UHFFFAOYSA-N
XLogP0.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[2-(2H-tetrazol-5-yl)propan-2-yl]hydroxylamine
CID 154283782
ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate
CID 10797568
2-methyl-2-(2H-tetrazol-5-yl)pentan-3-one
CID 89112241
5-(2-methylhexan-2-yl)-2H-tetrazole
CID 166949125
5-bromo-2-(2-ethoxypropan-2-yl)pyrimidine
CID 155756934
4-methyl-4-(2H-tetrazol-5-yl)pentan-2-one
CID 143632830
5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole
CID 69385216
5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole
CID 14591043
N-(2-methylbutan-2-yl)-2H-tetrazol-5-amine
CID 164660645
5-[(2-methylpropan-2-yl)oxy]-2H-tetrazole
CID 59000184
3-bromo-4-(2-ethoxypropan-2-yl)-5-methyl-1H-pyrazole
CID 157129255
5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole
CID 54416981

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxypropan-2-yl)-2H-tetrazole?
The IUPAC name of 5-(2-ethoxypropan-2-yl)-2H-tetrazole (CID 116701279) is 5-(2-ethoxypropan-2-yl)-2H-tetrazole.
What is the SMILES notation for 5-(2-ethoxypropan-2-yl)-2H-tetrazole?
The canonical SMILES for 5-(2-ethoxypropan-2-yl)-2H-tetrazole is CCOC(C)(C)c1nn[nH]n1.
What is the InChIKey of 5-(2-ethoxypropan-2-yl)-2H-tetrazole?
The InChIKey is MLBGQEBRWAIVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4-11-6(2,3)5-7-9-10-8-5/h4H2,1-3H3,(H,7,8,9,10).
What are the key properties of 5-(2-ethoxypropan-2-yl)-2H-tetrazole?
5-(2-ethoxypropan-2-yl)-2H-tetrazole has a molecular weight of 156.19 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxypropan-2-yl)-2H-tetrazole is sourced from PubChem (CID 116701279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).