5-(3-chloro-4-methylphenyl)-2H-tetrazole

C8H7ClN4 — CID 2730458

IUPAC5-(3-chloro-4-methylphenyl)-2H-tetrazole
SMILESCc1ccc(-c2nn[nH]n2)cc1Cl
InChIInChI=1S/C8H7ClN4/c1-5-2-3-6(4-7(5)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13)
InChIKeyDGSPJIDNXYCCEN-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.83
Rot. Bonds1

About 5-(3-chloro-4-methylphenyl)-2H-tetrazole

5-(3-chloro-4-methylphenyl)-2H-tetrazole (PubChem CID 2730458) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-(3-chloro-4-methylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-chloro-4-methylphenyl)-2H-tetrazole
PubChem CID2730458
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name5-(3-chloro-4-methylphenyl)-2H-tetrazole
SMILESCc1ccc(-c2nn[nH]n2)cc1Cl
InChIInChI=1S/C8H7ClN4/c1-5-2-3-6(4-7(5)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13)
InChIKeyDGSPJIDNXYCCEN-UHFFFAOYSA-N
XLogP1.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylphenyl)-2H-tetrazole?
The IUPAC name of 5-(3-chloro-4-methylphenyl)-2H-tetrazole (CID 2730458) is 5-(3-chloro-4-methylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-chloro-4-methylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(3-chloro-4-methylphenyl)-2H-tetrazole is Cc1ccc(-c2nn[nH]n2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methylphenyl)-2H-tetrazole?
The InChIKey is DGSPJIDNXYCCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c1-5-2-3-6(4-7(5)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13).
What are the key properties of 5-(3-chloro-4-methylphenyl)-2H-tetrazole?
5-(3-chloro-4-methylphenyl)-2H-tetrazole has a molecular weight of 194.62 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylphenyl)-2H-tetrazole is sourced from PubChem (CID 2730458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).