5-ethenyl-1-phenyltetrazole

C9H8N4 — CID 12753529

IUPAC5-ethenyl-1-phenyltetrazole
SMILESC=Cc1nnnn1-c1ccccc1
InChIInChI=1S/C9H8N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyDSVWQCGQYGVZTB-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.31
Rot. Bonds2

About 5-ethenyl-1-phenyltetrazole

5-ethenyl-1-phenyltetrazole (PubChem CID 12753529) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 5-ethenyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-ethenyl-1-phenyltetrazole
PubChem CID12753529
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name5-ethenyl-1-phenyltetrazole
SMILESC=Cc1nnnn1-c1ccccc1
InChIInChI=1S/C9H8N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyDSVWQCGQYGVZTB-UHFFFAOYSA-N
XLogP1.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-5-(2-pyrrolidin-1-ylethenyl)tetrazole
CID 2825325
1-phenyltetrazole-5-selenol
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azanium 1-phenyltetrazole-5-thiolate
CID 15902281
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
N-benzyl-N-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 14439386
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
1-phenyl-5-(trichloromethyl)tetrazole
CID 69031476
1-phenyltetrazole-5-carbonitrile
CID 12718731
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
1-(4-fluorophenyl)-4-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]piperazine
CID 6062005
1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole
CID 122207425

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-phenyltetrazole?
The IUPAC name of 5-ethenyl-1-phenyltetrazole (CID 12753529) is 5-ethenyl-1-phenyltetrazole.
What is the SMILES notation for 5-ethenyl-1-phenyltetrazole?
The canonical SMILES for 5-ethenyl-1-phenyltetrazole is C=Cc1nnnn1-c1ccccc1.
What is the InChIKey of 5-ethenyl-1-phenyltetrazole?
The InChIKey is DSVWQCGQYGVZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h2-7H,1H2.
What are the key properties of 5-ethenyl-1-phenyltetrazole?
5-ethenyl-1-phenyltetrazole has a molecular weight of 172.19 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-phenyltetrazole is sourced from PubChem (CID 12753529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).