2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole

C15H13ClN4 — CID 46262530

IUPAC2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(-c3cc(Cl)ccc3C)n2)cc1
InChIInChI=1S/C15H13ClN4/c1-10-3-6-12(7-4-10)15-17-19-20(18-15)14-9-13(16)8-5-11(14)2/h3-9H,1-2H3
InChIKeyLDWWZPMPMAJHIB-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.60
Rot. Bonds2

About 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole

2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole (PubChem CID 46262530) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole
PubChem CID46262530
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole
SMILESCc1ccc(-c2nnn(-c3cc(Cl)ccc3C)n2)cc1
InChIInChI=1S/C15H13ClN4/c1-10-3-6-12(7-4-10)15-17-19-20(18-15)14-9-13(16)8-5-11(14)2/h3-9H,1-2H3
InChIKeyLDWWZPMPMAJHIB-UHFFFAOYSA-N
XLogP3.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-2-(4-methylphenyl)tetrazole
CID 2797241
2-(5-chloro-2-methylphenyl)-4,5-dimethyltriazole
CID 142810831
[4-methyl-3-(5-phenyltetrazol-2-yl)phenyl]methanamine
CID 105406132
4-(4-chlorophenyl)-5-[5-(4-methylphenyl)tetrazol-2-yl]selenadiazole
CID 155533908
2-[4-chloro-2-(5-phenyltetrazol-2-yl)phenyl]ethanamine
CID 114862330
1-(5-chloro-2-methylphenyl)tetrazole
CID 11586443
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
2-[5-(4-methylphenyl)tetrazol-2-yl]-5-nitrobenzonitrile
CID 9196006
[4-[5-(4-methylphenyl)tetrazol-2-yl]phenyl]methanol
CID 54249848
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
CID 55433773

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole (CID 46262530) is 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole is Cc1ccc(-c2nnn(-c3cc(Cl)ccc3C)n2)cc1.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole?
The InChIKey is LDWWZPMPMAJHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-10-3-6-12(7-4-10)15-17-19-20(18-15)14-9-13(16)8-5-11(14)2/h3-9H,1-2H3.
What are the key properties of 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole?
2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole has a molecular weight of 284.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-5-(4-methylphenyl)tetrazole is sourced from PubChem (CID 46262530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).