5-naphthalen-1-yl-5H-tetrazole

C11H8N4 — CID 174663110

IUPAC5-naphthalen-1-yl-5H-tetrazole
SMILESc1ccc2c(C3N=NN=N3)cccc2c1
InChIInChI=1S/C11H8N4/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-14-15-13-11/h1-7,11H
InChIKeyHVJVQPNFNMCLJQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP3.67
Rot. Bonds1

About 5-naphthalen-1-yl-5H-tetrazole

5-naphthalen-1-yl-5H-tetrazole (PubChem CID 174663110) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-naphthalen-1-yl-5H-tetrazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-5H-tetrazole
PubChem CID174663110
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name5-naphthalen-1-yl-5H-tetrazole
SMILESc1ccc2c(C3N=NN=N3)cccc2c1
InChIInChI=1S/C11H8N4/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-14-15-13-11/h1-7,11H
InChIKeyHVJVQPNFNMCLJQ-UHFFFAOYSA-N
XLogP3.67
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S,3R)-2-ethenyl-3-naphthalen-1-yloxirane
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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-5H-tetrazole?
The IUPAC name of 5-naphthalen-1-yl-5H-tetrazole (CID 174663110) is 5-naphthalen-1-yl-5H-tetrazole.
What is the SMILES notation for 5-naphthalen-1-yl-5H-tetrazole?
The canonical SMILES for 5-naphthalen-1-yl-5H-tetrazole is c1ccc2c(C3N=NN=N3)cccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-5H-tetrazole?
The InChIKey is HVJVQPNFNMCLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-14-15-13-11/h1-7,11H.
What are the key properties of 5-naphthalen-1-yl-5H-tetrazole?
5-naphthalen-1-yl-5H-tetrazole has a molecular weight of 196.21 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-5H-tetrazole is sourced from PubChem (CID 174663110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).