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

C5H10N4O — CID 58759939

IUPAC5-(propan-2-yloxymethyl)-2H-tetrazole
SMILESCC(C)OCc1nn[nH]n1
InChIInChI=1S/C5H10N4O/c1-4(2)10-3-5-6-8-9-7-5/h4H,3H2,1-2H3,(H,6,7,8,9)
InChIKeyREKYTFVBQAPPEJ-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.12
Rot. Bonds3

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

5-(propan-2-yloxymethyl)-2H-tetrazole (PubChem CID 58759939) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 5-(propan-2-yloxymethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(propan-2-yloxymethyl)-2H-tetrazole
PubChem CID58759939
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name5-(propan-2-yloxymethyl)-2H-tetrazole
SMILESCC(C)OCc1nn[nH]n1
InChIInChI=1S/C5H10N4O/c1-4(2)10-3-5-6-8-9-7-5/h4H,3H2,1-2H3,(H,6,7,8,9)
InChIKeyREKYTFVBQAPPEJ-UHFFFAOYSA-N
XLogP0.12
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-yloxymethyl)-2H-tetrazole?
The IUPAC name of 5-(propan-2-yloxymethyl)-2H-tetrazole (CID 58759939) is 5-(propan-2-yloxymethyl)-2H-tetrazole.
What is the SMILES notation for 5-(propan-2-yloxymethyl)-2H-tetrazole?
The canonical SMILES for 5-(propan-2-yloxymethyl)-2H-tetrazole is CC(C)OCc1nn[nH]n1.
What is the InChIKey of 5-(propan-2-yloxymethyl)-2H-tetrazole?
The InChIKey is REKYTFVBQAPPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-4(2)10-3-5-6-8-9-7-5/h4H,3H2,1-2H3,(H,6,7,8,9).
What are the key properties of 5-(propan-2-yloxymethyl)-2H-tetrazole?
5-(propan-2-yloxymethyl)-2H-tetrazole has a molecular weight of 142.16 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-yloxymethyl)-2H-tetrazole is sourced from PubChem (CID 58759939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).