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

C15H12Cl2N4 — CID 90032618

IUPAC2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole
SMILESCc1cccc(Cc2nnn(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C15H12Cl2N4/c1-10-3-2-4-11(7-10)8-15-18-20-21(19-15)12-5-6-13(16)14(17)9-12/h2-7,9H,8H2,1H3
InChIKeyGUIRPWTZUYTLMF-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.87
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole (PubChem CID 90032618) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole
PubChem CID90032618
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole
SMILESCc1cccc(Cc2nnn(-c3ccc(Cl)c(Cl)c3)n2)c1
InChIInChI=1S/C15H12Cl2N4/c1-10-3-2-4-11(7-10)8-15-18-20-21(19-15)12-5-6-13(16)14(17)9-12/h2-7,9H,8H2,1H3
InChIKeyGUIRPWTZUYTLMF-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-(3-methylphenyl)tetrazole
CID 143793801
[2-(3-chloro-4-methylphenyl)tetrazol-5-yl]methanamine
CID 82287272
2-[2-(3-methylphenyl)tetrazol-5-yl]acetic acid
CID 82285362
6-chloro-2-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130343
1,2-dichloro-4-methylbenzene;1,3-xylene
CID 158244707
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
2-[2-(3-chlorophenyl)tetrazol-5-yl]acetaldehyde
CID 87601401
5-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)tetrazole
CID 6457710
3-(bromomethyl)-5-[(3-methylphenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302508
3,5-dibenzyl-1-(3,4-dichlorophenyl)-1,2,4-triazin-6-one
CID 175402521
5-chloro-2-[(3-methylphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168607
5-(2-chlorophenyl)-2-[(3-methylphenyl)methyl]tetrazole
CID 7702797

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole (CID 90032618) is 2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole is Cc1cccc(Cc2nnn(-c3ccc(Cl)c(Cl)c3)n2)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole?
The InChIKey is GUIRPWTZUYTLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-10-3-2-4-11(7-10)8-15-18-20-21(19-15)12-5-6-13(16)14(17)9-12/h2-7,9H,8H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole?
2-(3,4-dichlorophenyl)-5-[(3-methylphenyl)methyl]tetrazole has a molecular weight of 319.20 g/mol, XLogP of 3.87, 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)-5-[(3-methylphenyl)methyl]tetrazole is sourced from PubChem (CID 90032618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).