5-[(4-chlorophenyl)methyl]-2H-tetrazole

C8H7ClN4 — CID 723585

IUPAC5-[(4-chlorophenyl)methyl]-2H-tetrazole
SMILESClc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C8H7ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKeyPNVBWDXECSSTFP-UHFFFAOYSA-N
MW194.63 g/mol
LogP1.44
Rot. Bonds2

About 5-[(4-chlorophenyl)methyl]-2H-tetrazole

5-[(4-chlorophenyl)methyl]-2H-tetrazole (PubChem CID 723585) has the molecular formula C8H7ClN4 and a molecular weight of 194.63 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2H-tetrazole
PubChem CID723585
Molecular FormulaC8H7ClN4
Molecular Weight194.63 g/mol
Exact Mass194.04
IUPAC Name5-[(4-chlorophenyl)methyl]-2H-tetrazole
SMILESClc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C8H7ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKeyPNVBWDXECSSTFP-UHFFFAOYSA-N
XLogP1.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2H-tetrazole (CID 723585) is 5-[(4-chlorophenyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2H-tetrazole is Clc1ccc(Cc2nn[nH]n2)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2H-tetrazole?
The InChIKey is PNVBWDXECSSTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13).
What are the key properties of 5-[(4-chlorophenyl)methyl]-2H-tetrazole?
5-[(4-chlorophenyl)methyl]-2H-tetrazole has a molecular weight of 194.63 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2H-tetrazole is sourced from PubChem (CID 723585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).