5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole

C12H16N4O — CID 126500100

IUPAC5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole
SMILESCOc1c(-c2nnnn2C)cccc1C(C)C
InChIInChI=1S/C12H16N4O/c1-8(2)9-6-5-7-10(11(9)17-4)12-13-14-15-16(12)3/h5-8H,1-4H3
InChIKeyNMVDZMZFWJODHY-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.01
Rot. Bonds3

About 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole

5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole (PubChem CID 126500100) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole
PubChem CID126500100
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole
SMILESCOc1c(-c2nnnn2C)cccc1C(C)C
InChIInChI=1S/C12H16N4O/c1-8(2)9-6-5-7-10(11(9)17-4)12-13-14-15-16(12)3/h5-8H,1-4H3
InChIKeyNMVDZMZFWJODHY-UHFFFAOYSA-N
XLogP2.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole?
The IUPAC name of 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole (CID 126500100) is 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole.
What is the SMILES notation for 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole?
The canonical SMILES for 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole is COc1c(-c2nnnn2C)cccc1C(C)C.
What is the InChIKey of 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole?
The InChIKey is NMVDZMZFWJODHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)9-6-5-7-10(11(9)17-4)12-13-14-15-16(12)3/h5-8H,1-4H3.
What are the key properties of 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole?
5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole has a molecular weight of 232.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole is sourced from PubChem (CID 126500100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).