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

C15H13ClN4 — CID 7702797

IUPAC5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
SMILESCc1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C15H13ClN4/c1-11-5-4-6-12(9-11)10-20-18-15(17-19-20)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3
InChIKeyYKQBHVIEGJIIJZ-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.35
Rot. Bonds3

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

5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole (PubChem CID 7702797) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
PubChem CID7702797
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
SMILESCc1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C15H13ClN4/c1-11-5-4-6-12(9-11)10-20-18-15(17-19-20)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3
InChIKeyYKQBHVIEGJIIJZ-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

2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
5-(1-benzyl-5-bromopyrazol-4-yl)-2-[(3-methylphenyl)methyl]tetrazole
CID 154492325
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
CID 8685521
2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
CID 4809389
5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole
CID 56974037
1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine
CID 17428992
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
5-[2-[(3-methylphenyl)methyl]tetrazol-5-yl]-2-phenyl-1H-pyrazole-3-thione
CID 154056823
2-benzyl-5-[5-chloro-1-(3,5-dimethylphenyl)pyrazol-4-yl]tetrazole
CID 90033633
2-[5-(2-chlorophenyl)tetrazol-2-yl]acetate
CID 6922149

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole (CID 7702797) is 5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole is Cc1cccc(Cn2nnc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole?
The InChIKey is YKQBHVIEGJIIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-11-5-4-6-12(9-11)10-20-18-15(17-19-20)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole?
5-(2-chlorophenyl)-2-[(3-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-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole is sourced from PubChem (CID 7702797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).