2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole

C15H12Cl2N4 — CID 7465665

IUPAC2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C15H12Cl2N4/c1-10-2-5-12(6-3-10)15-18-20-21(19-15)9-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3
InChIKeyOWLZLKRKCPYVJD-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.00
Rot. Bonds3

About 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole

2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole (PubChem CID 7465665) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
PubChem CID7465665
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C15H12Cl2N4/c1-10-2-5-12(6-3-10)15-18-20-21(19-15)9-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3
InChIKeyOWLZLKRKCPYVJD-UHFFFAOYSA-N
XLogP4.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
5-(1,3-benzodioxol-5-yl)-2-[(3,4-dichlorophenyl)methyl]tetrazole
CID 2901493
4-[3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]phenyl]sulfonylmorpholine
CID 7465712
5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
CID 7702797
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
5-methyl-3-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 47014414
3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 18099850
4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
CID 649087
4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 1463675
4-[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]morpholine
CID 648488
5-(4-bromophenyl)-2-[(4-methylsulfanylphenyl)methyl]tetrazole
CID 7490503

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole (CID 7465665) is 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole is Cc1ccc(-c2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole?
The InChIKey is OWLZLKRKCPYVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-10-2-5-12(6-3-10)15-18-20-21(19-15)9-11-4-7-13(16)14(17)8-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole?
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole has a molecular weight of 319.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole is sourced from PubChem (CID 7465665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).