3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol

C8H14N4O2 — CID 107046047

IUPAC3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol
SMILESCn1nnc(CC2(O)CCCOC2)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-7(9-11-12)5-8(13)3-2-4-14-6-8/h13H,2-6H2,1H3
InChIKeyYVDRREJEUDTTSN-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.71
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol

3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol (PubChem CID 107046047) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol
PubChem CID107046047
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol
SMILESCn1nnc(CC2(O)CCCOC2)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-7(9-11-12)5-8(13)3-2-4-14-6-8/h13H,2-6H2,1H3
InChIKeyYVDRREJEUDTTSN-UHFFFAOYSA-N
XLogP-0.71
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol (CID 107046047) is 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol is Cn1nnc(CC2(O)CCCOC2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol?
The InChIKey is YVDRREJEUDTTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12-10-7(9-11-12)5-8(13)3-2-4-14-6-8/h13H,2-6H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol?
3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol has a molecular weight of 198.23 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]oxan-3-ol is sourced from PubChem (CID 107046047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).