1-[(4-methoxyphenyl)methyl]tetrazole

C9H10N4O — CID 10997805

IUPAC1-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3
InChIKeyODJQFWLXWRQLSQ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.73
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]tetrazole

1-[(4-methoxyphenyl)methyl]tetrazole (PubChem CID 10997805) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]tetrazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]tetrazole
PubChem CID10997805
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-[(4-methoxyphenyl)methyl]tetrazole
SMILESCOc1ccc(Cn2cnnn2)cc1
InChIInChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3
InChIKeyODJQFWLXWRQLSQ-UHFFFAOYSA-N
XLogP0.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]tetrazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]tetrazole (CID 10997805) is 1-[(4-methoxyphenyl)methyl]tetrazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]tetrazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]tetrazole is COc1ccc(Cn2cnnn2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]tetrazole?
The InChIKey is ODJQFWLXWRQLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-9-4-2-8(3-5-9)6-13-7-10-11-12-13/h2-5,7H,6H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]tetrazole?
1-[(4-methoxyphenyl)methyl]tetrazole has a molecular weight of 190.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]tetrazole is sourced from PubChem (CID 10997805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).