5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole

C15H12Cl2N4 — CID 11652648

IUPAC5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole
SMILESCc1ccccc1Cn1nnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2N4/c1-10-5-2-3-6-11(10)9-21-15(18-19-20-21)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3
InChIKeyAIXKYVDETAVYTG-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.00
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole

5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole (PubChem CID 11652648) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole
PubChem CID11652648
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole
SMILESCc1ccccc1Cn1nnnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2N4/c1-10-5-2-3-6-11(10)9-21-15(18-19-20-21)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3
InChIKeyAIXKYVDETAVYTG-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

1-Benzyl-5-(2,3-dichlorophenyl)tetrazole
CID 11515022
1-(2,6-dichlorobenzyl)-5-(2,3-dichlorophenyl)-1H-tetraazole
CID 11516301
3-(2,3-Dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
CID 16678288
3-(2,3-Dichlorophenyl)-4-[(2-methylphenyl)methyl]-1,2,4-triazole
CID 16678387
3-(2,3-Dichlorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 16678391
1-Benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole
CID 16678804
4-Benzyl-3-(2,3-dichlorophenyl)-1,2,4-triazole
CID 44440425
3-(2,3-Dichlorophenyl)-4-[(5-fluoro-2-methylphenyl)methyl]-1,2,4-triazole
CID 44440442
3-(2,3-Dichlorophenyl)-4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 44440446
1-allyl-5-(3-chlorophenyl)-1H-1,2,3,4-tetraazole
CID 1473377
5-(4-Chlorophenyl)-1-propyl-1H-1,2,3,4-tetrazole
CID 1490127
5-(3-chlorophenyl)-1-propyl-1H-1,2,3,4-tetraazole
CID 1490175

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole?
The IUPAC name of 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole (CID 11652648) is 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole?
The canonical SMILES for 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole is Cc1ccccc1Cn1nnnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole?
The InChIKey is AIXKYVDETAVYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-10-5-2-3-6-11(10)9-21-15(18-19-20-21)12-7-4-8-13(16)14(12)17/h2-8H,9H2,1H3.
What are the key properties of 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole?
5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]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 5-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methyl]tetrazole is sourced from PubChem (CID 11652648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).