5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole

C17H18N4 — CID 11687741

IUPAC5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole
SMILESCc1ccccc1Cn1nnnc1-c1cccc(C)c1C
InChIInChI=1S/C17H18N4/c1-12-8-6-10-16(14(12)3)17-18-19-20-21(17)11-15-9-5-4-7-13(15)2/h4-10H,11H2,1-3H3
InChIKeyJPRKTHZMPAAXKC-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.31
Rot. Bonds3

About 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole

5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole (PubChem CID 11687741) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole
PubChem CID11687741
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole
SMILESCc1ccccc1Cn1nnnc1-c1cccc(C)c1C
InChIInChI=1S/C17H18N4/c1-12-8-6-10-16(14(12)3)17-18-19-20-21(17)11-15-9-5-4-7-13(15)2/h4-10H,11H2,1-3H3
InChIKeyJPRKTHZMPAAXKC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole?
The IUPAC name of 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole (CID 11687741) is 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole?
The canonical SMILES for 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole is Cc1ccccc1Cn1nnnc1-c1cccc(C)c1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole?
The InChIKey is JPRKTHZMPAAXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-8-6-10-16(14(12)3)17-18-19-20-21(17)11-15-9-5-4-7-13(15)2/h4-10H,11H2,1-3H3.
What are the key properties of 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole?
5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole has a molecular weight of 278.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]tetrazole is sourced from PubChem (CID 11687741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).