5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole

C15H13ClN4 — CID 6457710

IUPAC5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClN4/c1-11-5-7-14(8-6-11)20-15(17-18-19-20)10-12-3-2-4-13(16)9-12/h2-9H,10H2,1H3
InChIKeyXJWQWUPTRRZHGX-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.21
Rot. Bonds3

About 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole

5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole (PubChem CID 6457710) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole
PubChem CID6457710
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole
SMILESCc1ccc(-n2nnnc2Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClN4/c1-11-5-7-14(8-6-11)20-15(17-18-19-20)10-12-3-2-4-13(16)9-12/h2-9H,10H2,1H3
InChIKeyXJWQWUPTRRZHGX-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Tetrazole, 1,5-diphenyl-
CID 139033
5-[Dichloro-[1-(4-methylphenyl)tetrazol-5-yl]methyl]-1-(4-methylphenyl)tetrazole
CID 3090520
5-[Chloro-[1-(4-methylphenyl)tetrazol-5-yl]methyl]-1-(4-methylphenyl)tetrazole
CID 7172585
5-(chloromethyl)-1-(4-methylphenyl)-1H-1,2,3,4-tetrazole
CID 3165841
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-N,N-dimethylcyclohexanamine
CID 581177
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
1-(3,4-dichlorophenyl)-5-phenyl-1H-tetrazole
CID 773470
1,5-bis(3,4-dichlorophenyl)-1H-1,2,3,4-tetraazole
CID 2799589
Dimethyl-{4-[2-(1-phenyl-1H-tetrazol-5-yl)-vinyl]-phenyl}-amine
CID 5749675
(E)-5-(2-(2-(4-Chlorophenyl)hydrazono)ethyl)-1-(p-tolyl)-1H-tetrazole
CID 9584719

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole (CID 6457710) is 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole is Cc1ccc(-n2nnnc2Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole?
The InChIKey is XJWQWUPTRRZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-11-5-7-14(8-6-11)20-15(17-18-19-20)10-12-3-2-4-13(16)9-12/h2-9H,10H2,1H3.
What are the key properties of 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole?
5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole has a molecular weight of 284.75 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole is sourced from PubChem (CID 6457710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).