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

C15H11ClN8 — CID 2222207

IUPAC5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole
SMILESClc1ccccc1-c1nnn(Cc2ccc(-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C15H11ClN8/c16-13-4-2-1-3-12(13)15-19-23-24(20-15)9-10-5-7-11(8-6-10)14-17-21-22-18-14/h1-8H,9H2,(H,17,18,21,22)
InChIKeyHJVQLJPODTUYIA-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.22
Rot. Bonds4

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

5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole (PubChem CID 2222207) has the molecular formula C15H11ClN8 and a molecular weight of 338.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole
PubChem CID2222207
Molecular FormulaC15H11ClN8
Molecular Weight338.76 g/mol
Exact Mass338.08
IUPAC Name5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole
SMILESClc1ccccc1-c1nnn(Cc2ccc(-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C15H11ClN8/c16-13-4-2-1-3-12(13)15-19-23-24(20-15)9-10-5-7-11(8-6-10)14-17-21-22-18-14/h1-8H,9H2,(H,17,18,21,22)
InChIKeyHJVQLJPODTUYIA-UHFFFAOYSA-N
XLogP2.22
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole?
The IUPAC name of 5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole (CID 2222207) is 5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole is Clc1ccccc1-c1nnn(Cc2ccc(-c3nn[nH]n3)cc2)n1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole?
The InChIKey is HJVQLJPODTUYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN8/c16-13-4-2-1-3-12(13)15-19-23-24(20-15)9-10-5-7-11(8-6-10)14-17-21-22-18-14/h1-8H,9H2,(H,17,18,21,22).
What are the key properties of 5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole?
5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole has a molecular weight of 338.76 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[[4-(2H-tetrazol-5-yl)phenyl]methyl]tetrazole is sourced from PubChem (CID 2222207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).