5-(butan-2-yloxymethyl)-2H-tetrazole

C6H12N4O — CID 130564555

IUPAC5-(butan-2-yloxymethyl)-2H-tetrazole
SMILESCCC(C)OCc1nn[nH]n1
InChIInChI=1S/C6H12N4O/c1-3-5(2)11-4-6-7-9-10-8-6/h5H,3-4H2,1-2H3,(H,7,8,9,10)
InChIKeyDQHVXXUEXSLKHI-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.51
Rot. Bonds4

About 5-(butan-2-yloxymethyl)-2H-tetrazole

5-(butan-2-yloxymethyl)-2H-tetrazole (PubChem CID 130564555) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-(butan-2-yloxymethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(butan-2-yloxymethyl)-2H-tetrazole
PubChem CID130564555
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-(butan-2-yloxymethyl)-2H-tetrazole
SMILESCCC(C)OCc1nn[nH]n1
InChIInChI=1S/C6H12N4O/c1-3-5(2)11-4-6-7-9-10-8-6/h5H,3-4H2,1-2H3,(H,7,8,9,10)
InChIKeyDQHVXXUEXSLKHI-UHFFFAOYSA-N
XLogP0.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-yloxymethyl)-2H-tetrazole?
The IUPAC name of 5-(butan-2-yloxymethyl)-2H-tetrazole (CID 130564555) is 5-(butan-2-yloxymethyl)-2H-tetrazole.
What is the SMILES notation for 5-(butan-2-yloxymethyl)-2H-tetrazole?
The canonical SMILES for 5-(butan-2-yloxymethyl)-2H-tetrazole is CCC(C)OCc1nn[nH]n1.
What is the InChIKey of 5-(butan-2-yloxymethyl)-2H-tetrazole?
The InChIKey is DQHVXXUEXSLKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3-5(2)11-4-6-7-9-10-8-6/h5H,3-4H2,1-2H3,(H,7,8,9,10).
What are the key properties of 5-(butan-2-yloxymethyl)-2H-tetrazole?
5-(butan-2-yloxymethyl)-2H-tetrazole has a molecular weight of 156.19 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-yloxymethyl)-2H-tetrazole is sourced from PubChem (CID 130564555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).