5-(oxan-3-yl)-2H-tetrazole

C6H10N4O — CID 65335001

IUPAC5-(oxan-3-yl)-2H-tetrazole
SMILESC1COCC(c2nn[nH]n2)C1
InChIInChI=1S/C6H10N4O/c1-2-5(4-11-3-1)6-7-9-10-8-6/h5H,1-4H2,(H,7,8,9,10)
InChIKeyHJNVBSJLFNURQE-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.09
Rot. Bonds1

About 5-(oxan-3-yl)-2H-tetrazole

5-(oxan-3-yl)-2H-tetrazole (PubChem CID 65335001) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(oxan-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(oxan-3-yl)-2H-tetrazole
PubChem CID65335001
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-(oxan-3-yl)-2H-tetrazole
SMILESC1COCC(c2nn[nH]n2)C1
InChIInChI=1S/C6H10N4O/c1-2-5(4-11-3-1)6-7-9-10-8-6/h5H,1-4H2,(H,7,8,9,10)
InChIKeyHJNVBSJLFNURQE-UHFFFAOYSA-N
XLogP0.09
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methanidyl-3-(2H-tetrazol-5-yl)piperidin-1-ium
CID 58123742
3-[3-(oxan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 65333477
4,6-dichloro-2-(oxan-3-yl)pyrimidine
CID 63738240
2-[2-(oxan-3-yl)pyrimidin-5-yl]ethanamine
CID 65333628
3,4-dichloro-6-(oxan-3-yl)pyridazine
CID 117105547
5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63015423
1-methyl-4-[(3R)-oxan-3-yl]triazole
CID 164914057
N-ethyl-2-(oxan-3-yl)-6-propylpyrimidin-4-amine
CID 63739311
4-ethyl-3-(oxan-3-yl)-1H-1,2,4-triazole-5-thione
CID 115389677
5-(oxan-3-yl)-1H-1,2,4-triazole
CID 172992337
5-(oxan-3-yl)-1H-pyrazole-3-carbaldehyde
CID 115092480
4,6-dichloro-5-(4-fluorophenyl)-2-(oxan-3-yl)pyrimidine
CID 79431883

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-3-yl)-2H-tetrazole?
The IUPAC name of 5-(oxan-3-yl)-2H-tetrazole (CID 65335001) is 5-(oxan-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(oxan-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(oxan-3-yl)-2H-tetrazole is C1COCC(c2nn[nH]n2)C1.
What is the InChIKey of 5-(oxan-3-yl)-2H-tetrazole?
The InChIKey is HJNVBSJLFNURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-5(4-11-3-1)6-7-9-10-8-6/h5H,1-4H2,(H,7,8,9,10).
What are the key properties of 5-(oxan-3-yl)-2H-tetrazole?
5-(oxan-3-yl)-2H-tetrazole has a molecular weight of 154.17 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-3-yl)-2H-tetrazole is sourced from PubChem (CID 65335001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).