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

C14H10N8 — CID 59248649

IUPAC5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole
SMILESc1cc(-c2nn[nH]n2)ccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10N8/c1-5-11(13-15-19-20-16-13)6-2-9(1)10-3-7-12(8-4-10)14-17-21-22-18-14/h1-8H,(H,15,16,19,20)(H,17,18,21,22)
InChIKeyKSMAAKRGCQTKFH-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.71
Rot. Bonds3

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

5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole (PubChem CID 59248649) has the molecular formula C14H10N8 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole
PubChem CID59248649
Molecular FormulaC14H10N8
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole
SMILESc1cc(-c2nn[nH]n2)ccc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H10N8/c1-5-11(13-15-19-20-16-13)6-2-9(1)10-3-7-12(8-4-10)14-17-21-22-18-14/h1-8H,(H,15,16,19,20)(H,17,18,21,22)
InChIKeyKSMAAKRGCQTKFH-UHFFFAOYSA-N
XLogP1.71
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methylphenyl)-1H-tetrazole
CID 285164
5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
Phenylenebistetrazole
CID 788681
5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole
CID 9794697
5,5'-(1,3-Phenylene)bis(1H-1,2,3,4-tetrazole)
CID 4058493
5-(4-{[5-(2-methylphenyl)-2H-tetrazol-2-yl]methyl}phenyl)-1H-tetrazole
CID 973145
5-(4-ethylphenyl)-2H-1,2,3,4-tetrazole
CID 647221
5-(1-naphthyl)-2H-tetraazole
CID 561201
5-biphenyl-2-yl-1H-tetrazole
CID 15207492
5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole
CID 858905
5-[4-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
CID 280939
2H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-
CID 112946

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole (CID 59248649) is 5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole is c1cc(-c2nn[nH]n2)ccc1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole?
The InChIKey is KSMAAKRGCQTKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N8/c1-5-11(13-15-19-20-16-13)6-2-9(1)10-3-7-12(8-4-10)14-17-21-22-18-14/h1-8H,(H,15,16,19,20)(H,17,18,21,22).
What are the key properties of 5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole?
5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole has a molecular weight of 290.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 59248649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).