3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol

C8H14N4O2 — CID 107052361

IUPAC3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
SMILESCn1nnc(CC2COCCC2O)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-8(9-11-12)4-6-5-14-3-2-7(6)13/h6-7,13H,2-5H2,1H3
InChIKeyNOCNTTGLMKHTDV-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.85
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol

3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol (PubChem CID 107052361) 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-4-ol.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
PubChem CID107052361
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol
SMILESCn1nnc(CC2COCCC2O)n1
InChIInChI=1S/C8H14N4O2/c1-12-10-8(9-11-12)4-6-5-14-3-2-7(6)13/h6-7,13H,2-5H2,1H3
InChIKeyNOCNTTGLMKHTDV-UHFFFAOYSA-N
XLogP-0.85
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 ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[(2-methyltetrazol-5-yl)methyl]oxan-4-amine
CID 107044764
2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 106471105
4-methyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 165497401
3-[(4-tert-butylphenyl)methyl]oxan-4-ol
CID 106471360
2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
CID 107062100
N-[[2-[(2-methyltetrazol-5-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 107059258
3-[(4-hydroxyphenyl)methyl]oxan-4-ol
CID 106471081
4-[(2-methyltetrazol-5-yl)methyl]azetidin-2-one
CID 10241164
3-[(4-chlorophenyl)methyl]oxan-4-ol
CID 71649863
2-[(2-methyltetrazol-5-yl)methyl]-4-phenylcyclohexan-1-amine
CID 107044693
(3S,4R)-3-(2-methylpropyl)oxan-4-ol
CID 124680895

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol (CID 107052361) is 3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol is Cn1nnc(CC2COCCC2O)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol?
The InChIKey is NOCNTTGLMKHTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12-10-8(9-11-12)4-6-5-14-3-2-7(6)13/h6-7,13H,2-5H2,1H3.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol?
3-[(2-methyltetrazol-5-yl)methyl]oxan-4-ol has a molecular weight of 198.23 g/mol, XLogP of -0.85, 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-4-ol is sourced from PubChem (CID 107052361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).