1-(2,5-dimethoxyphenyl)tetrazole

C9H10N4O2 — CID 665562

IUPAC1-(2,5-dimethoxyphenyl)tetrazole
SMILESCOc1ccc(OC)c(-n2cnnn2)c1
InChIInChI=1S/C9H10N4O2/c1-14-7-3-4-9(15-2)8(5-7)13-6-10-11-12-13/h3-6H,1-2H3
InChIKeyZJHCMJBQSMFUOX-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.68
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)tetrazole

1-(2,5-dimethoxyphenyl)tetrazole (PubChem CID 665562) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)tetrazole
PubChem CID665562
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-(2,5-dimethoxyphenyl)tetrazole
SMILESCOc1ccc(OC)c(-n2cnnn2)c1
InChIInChI=1S/C9H10N4O2/c1-14-7-3-4-9(15-2)8(5-7)13-6-10-11-12-13/h3-6H,1-2H3
InChIKeyZJHCMJBQSMFUOX-UHFFFAOYSA-N
XLogP0.68
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)tetrazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)tetrazole (CID 665562) is 1-(2,5-dimethoxyphenyl)tetrazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)tetrazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)tetrazole is COc1ccc(OC)c(-n2cnnn2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)tetrazole?
The InChIKey is ZJHCMJBQSMFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-14-7-3-4-9(15-2)8(5-7)13-6-10-11-12-13/h3-6H,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)tetrazole?
1-(2,5-dimethoxyphenyl)tetrazole has a molecular weight of 206.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)tetrazole is sourced from PubChem (CID 665562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).