5-methyl-1-(oxan-3-ylmethyl)tetrazole

C8H14N4O — CID 54156265

IUPAC5-methyl-1-(oxan-3-ylmethyl)tetrazole
SMILESCc1nnnn1CC1CCCOC1
InChIInChI=1S/C8H14N4O/c1-7-9-10-11-12(7)5-8-3-2-4-13-6-8/h8H,2-6H2,1H3
InChIKeyOLGKCIVTOISTHZ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.41
Rot. Bonds2

About 5-methyl-1-(oxan-3-ylmethyl)tetrazole

5-methyl-1-(oxan-3-ylmethyl)tetrazole (PubChem CID 54156265) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-methyl-1-(oxan-3-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-methyl-1-(oxan-3-ylmethyl)tetrazole
PubChem CID54156265
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-methyl-1-(oxan-3-ylmethyl)tetrazole
SMILESCc1nnnn1CC1CCCOC1
InChIInChI=1S/C8H14N4O/c1-7-9-10-11-12(7)5-8-3-2-4-13-6-8/h8H,2-6H2,1H3
InChIKeyOLGKCIVTOISTHZ-UHFFFAOYSA-N
XLogP0.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methyltetrazol-1-yl)methyl]piperidine
CID 82512154
4-bromo-3-methyl-1-(oxan-3-ylmethyl)pyrazol-5-amine
CID 63741638
5-bromo-4-methyl-1-(oxolan-3-ylmethyl)triazole
CID 123205395
3-ethyl-1-(oxan-3-ylmethyl)-5-(trifluoromethyl)pyrazole
CID 157042333
3-methyl-1-(oxan-3-ylmethyl)pyrazole
CID 130610539
[5-methyl-1-(oxolan-3-ylmethyl)triazol-4-yl]methanamine
CID 82505598
4,5-dibromo-2-methyl-1-(oxan-3-yl)imidazole
CID 130138840
2-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 62825409
1-(oxan-3-ylmethyl)pyrrolidine
CID 91805344
5-bromo-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232366
5-chloro-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232364
2-methoxy-4-[1-(oxolan-3-ylmethyl)tetrazol-5-yl]aniline
CID 104784567

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-3-ylmethyl)tetrazole?
The IUPAC name of 5-methyl-1-(oxan-3-ylmethyl)tetrazole (CID 54156265) is 5-methyl-1-(oxan-3-ylmethyl)tetrazole.
What is the SMILES notation for 5-methyl-1-(oxan-3-ylmethyl)tetrazole?
The canonical SMILES for 5-methyl-1-(oxan-3-ylmethyl)tetrazole is Cc1nnnn1CC1CCCOC1.
What is the InChIKey of 5-methyl-1-(oxan-3-ylmethyl)tetrazole?
The InChIKey is OLGKCIVTOISTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-7-9-10-11-12(7)5-8-3-2-4-13-6-8/h8H,2-6H2,1H3.
What are the key properties of 5-methyl-1-(oxan-3-ylmethyl)tetrazole?
5-methyl-1-(oxan-3-ylmethyl)tetrazole has a molecular weight of 182.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-3-ylmethyl)tetrazole is sourced from PubChem (CID 54156265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).