5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole

C15H13ClN4 — CID 7490709

IUPAC5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
SMILESCc1ccccc1Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H13ClN4/c1-11-5-2-3-6-13(11)10-20-18-15(17-19-20)12-7-4-8-14(16)9-12/h2-9H,10H2,1H3
InChIKeyCJWLKOBOBQULLY-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.35
Rot. Bonds3

About 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole

5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole (PubChem CID 7490709) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
PubChem CID7490709
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
SMILESCc1ccccc1Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H13ClN4/c1-11-5-2-3-6-13(11)10-20-18-15(17-19-20)12-7-4-8-14(16)9-12/h2-9H,10H2,1H3
InChIKeyCJWLKOBOBQULLY-UHFFFAOYSA-N
XLogP3.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
4-[2-[(2-methylphenyl)methyl]tetrazol-5-yl]benzoate
CID 6987693
2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,4-dimethylphenyl)ethanone
CID 7490677
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
CID 7278075
1-butyl-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]tetrazole
CID 7716257
5-(3-chlorophenyl)-2-[(2,2-dichlorocyclopropyl)methyl]tetrazole
CID 18171624
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7490582
3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053622
2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]prop-2-enoic acid
CID 144719815
1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione
CID 30834345

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole (CID 7490709) is 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole is Cc1ccccc1Cn1nnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole?
The InChIKey is CJWLKOBOBQULLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-11-5-2-3-6-13(11)10-20-18-15(17-19-20)12-7-4-8-14(16)9-12/h2-9H,10H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole?
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole has a molecular weight of 284.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole is sourced from PubChem (CID 7490709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).