ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole

C12H18N4O — CID 144718344

IUPACethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole
SMILESCC.COc1cc(C)cc(-n2nnnc2C)c1
InChIInChI=1S/C10H12N4O.C2H6/c1-7-4-9(6-10(5-7)15-3)14-8(2)11-12-13-14;1-2/h4-6H,1-3H3;1-2H3
InChIKeyGYILZOQFSFPUAY-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.31
Rot. Bonds2

About ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole

ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole (PubChem CID 144718344) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole.

Molecular Properties

Compound Nameethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole
PubChem CID144718344
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Nameethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole
SMILESCC.COc1cc(C)cc(-n2nnnc2C)c1
InChIInChI=1S/C10H12N4O.C2H6/c1-7-4-9(6-10(5-7)15-3)14-8(2)11-12-13-14;1-2/h4-6H,1-3H3;1-2H3
InChIKeyGYILZOQFSFPUAY-UHFFFAOYSA-N
XLogP2.31
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole?
The IUPAC name of ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole (CID 144718344) is ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole.
What is the SMILES notation for ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole?
The canonical SMILES for ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole is CC.COc1cc(C)cc(-n2nnnc2C)c1.
What is the InChIKey of ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole?
The InChIKey is GYILZOQFSFPUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O.C2H6/c1-7-4-9(6-10(5-7)15-3)14-8(2)11-12-13-14;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole?
ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole has a molecular weight of 234.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methoxy-5-methylphenyl)-5-methyltetrazole is sourced from PubChem (CID 144718344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).