5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride

C14H15ClN4O — CID 173352497

IUPAC5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride
SMILESCOC1=NN(c2ccccc2)N(c2ccccc2)N1.Cl
InChIInChI=1S/C14H14N4O.ClH/c1-19-14-15-17(12-8-4-2-5-9-12)18(16-14)13-10-6-3-7-11-13;/h2-11H,1H3,(H,15,16);1H
InChIKeyDEEDTUMBGGNYIG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.77
Rot. Bonds2

About 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride

5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride (PubChem CID 173352497) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride.

Molecular Properties

Compound Name5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride
PubChem CID173352497
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride
SMILESCOC1=NN(c2ccccc2)N(c2ccccc2)N1.Cl
InChIInChI=1S/C14H14N4O.ClH/c1-19-14-15-17(12-8-4-2-5-9-12)18(16-14)13-10-6-3-7-11-13;/h2-11H,1H3,(H,15,16);1H
InChIKeyDEEDTUMBGGNYIG-UHFFFAOYSA-N
XLogP2.77
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride?
The IUPAC name of 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride (CID 173352497) is 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride.
What is the SMILES notation for 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride?
The canonical SMILES for 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride is COC1=NN(c2ccccc2)N(c2ccccc2)N1.Cl.
What is the InChIKey of 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride?
The InChIKey is DEEDTUMBGGNYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.ClH/c1-19-14-15-17(12-8-4-2-5-9-12)18(16-14)13-10-6-3-7-11-13;/h2-11H,1H3,(H,15,16);1H.
What are the key properties of 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride?
5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3-diphenyl-1H-tetrazole;hydrochloride is sourced from PubChem (CID 173352497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).