1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one

C15H14N4O2 — CID 16579069

IUPAC1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
SMILESCOc1ccc(Cn2nnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-21-14-9-7-12(8-10-14)11-18-15(20)19(17-16-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyIJFYZQQSAXAUHK-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.49
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one

1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one (PubChem CID 16579069) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
PubChem CID16579069
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
SMILESCOc1ccc(Cn2nnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-21-14-9-7-12(8-10-14)11-18-15(20)19(17-16-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyIJFYZQQSAXAUHK-UHFFFAOYSA-N
XLogP1.49
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one (CID 16579069) is 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one is COc1ccc(Cn2nnn(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one?
The InChIKey is IJFYZQQSAXAUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-21-14-9-7-12(8-10-14)11-18-15(20)19(17-16-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one?
1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one has a molecular weight of 282.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one is sourced from PubChem (CID 16579069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).