(2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol

C7H12N4O2S — CID 127004647

IUPAC(2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol
SMILESCn1nnc(C(O)C2CSCCO2)n1
InChIInChI=1S/C7H12N4O2S/c1-11-9-7(8-10-11)6(12)5-4-14-3-2-13-5/h5-6,12H,2-4H2,1H3
InChIKeyZCESGTMSRLKOGO-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.62
Rot. Bonds2

About (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol

(2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol (PubChem CID 127004647) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol.

Molecular Properties

Compound Name(2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol
PubChem CID127004647
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name(2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol
SMILESCn1nnc(C(O)C2CSCCO2)n1
InChIInChI=1S/C7H12N4O2S/c1-11-9-7(8-10-11)6(12)5-4-14-3-2-13-5/h5-6,12H,2-4H2,1H3
InChIKeyZCESGTMSRLKOGO-UHFFFAOYSA-N
XLogP-0.62
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol?
The IUPAC name of (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol (CID 127004647) is (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol.
What is the SMILES notation for (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol?
The canonical SMILES for (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol is Cn1nnc(C(O)C2CSCCO2)n1.
What is the InChIKey of (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol?
The InChIKey is ZCESGTMSRLKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-11-9-7(8-10-11)6(12)5-4-14-3-2-13-5/h5-6,12H,2-4H2,1H3.
What are the key properties of (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol?
(2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol has a molecular weight of 216.27 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyltetrazol-5-yl)-(1,4-oxathian-2-yl)methanol is sourced from PubChem (CID 127004647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).