5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole

C9H7N7 — CID 174983563

IUPAC5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole
SMILESc1ccc(-n2cncn2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C9H7N7/c1-2-4-8(16-6-10-5-11-16)7(3-1)9-12-14-15-13-9/h1-6H,(H,12,13,14,15)
InChIKeyVZBRJRYOYUKBDU-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.45
Rot. Bonds2

About 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole

5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole (PubChem CID 174983563) has the molecular formula C9H7N7 and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole
PubChem CID174983563
Molecular FormulaC9H7N7
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole
SMILESc1ccc(-n2cncn2)c(-c2nn[nH]n2)c1
InChIInChI=1S/C9H7N7/c1-2-4-8(16-6-10-5-11-16)7(3-1)9-12-14-15-13-9/h1-6H,(H,12,13,14,15)
InChIKeyVZBRJRYOYUKBDU-UHFFFAOYSA-N
XLogP0.45
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;5-(2-methylphenyl)-2H-tetrazole
CID 91346889
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2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
CID 135355125
N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62749408
(1S)-1-[2-(1,2,4-triazol-1-yl)phenyl]ethanol
CID 63372128
2-[2-(1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 117291049
5-[2-(2,2-dimethylpropyl)phenyl]-2H-tetrazole
CID 67555951
5-(1-phenylpyrazol-3-yl)-2H-tetrazole
CID 155806906
1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzazepine
CID 67815987
potassium;hydride;4-[2-(2H-tetrazol-5-yl)phenyl]benzaldehyde
CID 173044434

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole (CID 174983563) is 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole is c1ccc(-n2cncn2)c(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole?
The InChIKey is VZBRJRYOYUKBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N7/c1-2-4-8(16-6-10-5-11-16)7(3-1)9-12-14-15-13-9/h1-6H,(H,12,13,14,15).
What are the key properties of 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole?
5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole has a molecular weight of 213.20 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,2,4-triazol-1-yl)phenyl]-2H-tetrazole is sourced from PubChem (CID 174983563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).