5-(4-methoxyphenyl)-1-propan-2-yltetrazole

C11H14N4O — CID 805273

IUPAC5-(4-methoxyphenyl)-1-propan-2-yltetrazole
SMILESCOc1ccc(-c2nnnn2C(C)C)cc1
InChIInChI=1S/C11H14N4O/c1-8(2)15-11(12-13-14-15)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3
InChIKeyZFOLQKPMFPWBBM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.93
Rot. Bonds3

About 5-(4-methoxyphenyl)-1-propan-2-yltetrazole

5-(4-methoxyphenyl)-1-propan-2-yltetrazole (PubChem CID 805273) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-propan-2-yltetrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-propan-2-yltetrazole
PubChem CID805273
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(4-methoxyphenyl)-1-propan-2-yltetrazole
SMILESCOc1ccc(-c2nnnn2C(C)C)cc1
InChIInChI=1S/C11H14N4O/c1-8(2)15-11(12-13-14-15)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3
InChIKeyZFOLQKPMFPWBBM-UHFFFAOYSA-N
XLogP1.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-propan-2-yltetrazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-propan-2-yltetrazole (CID 805273) is 5-(4-methoxyphenyl)-1-propan-2-yltetrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-propan-2-yltetrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-propan-2-yltetrazole is COc1ccc(-c2nnnn2C(C)C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-propan-2-yltetrazole?
The InChIKey is ZFOLQKPMFPWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(2)15-11(12-13-14-15)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-1-propan-2-yltetrazole?
5-(4-methoxyphenyl)-1-propan-2-yltetrazole has a molecular weight of 218.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-propan-2-yltetrazole is sourced from PubChem (CID 805273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).