1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole

C17H18N4 — CID 872287

IUPAC1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
SMILESCc1cccc(C(C)C)c1-n1nnnc1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-12(2)15-11-7-8-13(3)16(15)21-17(18-19-20-21)14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKeyGHLIFTSCRSQYIY-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.76
Rot. Bonds3

About 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole

1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole (PubChem CID 872287) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
PubChem CID872287
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole
SMILESCc1cccc(C(C)C)c1-n1nnnc1-c1ccccc1
InChIInChI=1S/C17H18N4/c1-12(2)15-11-7-8-13(3)16(15)21-17(18-19-20-21)14-9-5-4-6-10-14/h4-12H,1-3H3
InChIKeyGHLIFTSCRSQYIY-UHFFFAOYSA-N
XLogP3.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole?
The IUPAC name of 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole (CID 872287) is 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole is Cc1cccc(C(C)C)c1-n1nnnc1-c1ccccc1.
What is the InChIKey of 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole?
The InChIKey is GHLIFTSCRSQYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12(2)15-11-7-8-13(3)16(15)21-17(18-19-20-21)14-9-5-4-6-10-14/h4-12H,1-3H3.
What are the key properties of 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole?
1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole has a molecular weight of 278.36 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propan-2-ylphenyl)-5-phenyltetrazole is sourced from PubChem (CID 872287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).