1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole

C14H10Cl2N4 — CID 821340

IUPAC1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole
SMILESCc1c(Cl)cccc1-n1nnnc1-c1ccccc1Cl
InChIInChI=1S/C14H10Cl2N4/c1-9-11(15)7-4-8-13(9)20-14(17-18-19-20)10-5-2-3-6-12(10)16/h2-8H,1H3
InChIKeyKQYUYWGJWAWTBB-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.94
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole

1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole (PubChem CID 821340) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole
PubChem CID821340
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole
SMILESCc1c(Cl)cccc1-n1nnnc1-c1ccccc1Cl
InChIInChI=1S/C14H10Cl2N4/c1-9-11(15)7-4-8-13(9)20-14(17-18-19-20)10-5-2-3-6-12(10)16/h2-8H,1H3
InChIKeyKQYUYWGJWAWTBB-UHFFFAOYSA-N
XLogP3.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole (CID 821340) is 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole is Cc1c(Cl)cccc1-n1nnnc1-c1ccccc1Cl.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole?
The InChIKey is KQYUYWGJWAWTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c1-9-11(15)7-4-8-13(9)20-14(17-18-19-20)10-5-2-3-6-12(10)16/h2-8H,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole?
1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole has a molecular weight of 305.17 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-5-(2-chlorophenyl)tetrazole is sourced from PubChem (CID 821340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).