1-naphthalen-1-yltetrazole

C11H8N4 — CID 645672

IUPAC1-naphthalen-1-yltetrazole
SMILESc1ccc2c(-n3cnnn3)cccc2c1
InChIInChI=1S/C11H8N4/c1-2-6-10-9(4-1)5-3-7-11(10)15-8-12-13-14-15/h1-8H
InChIKeyOAARHCJLFHFWNI-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.82
Rot. Bonds1

About 1-naphthalen-1-yltetrazole

1-naphthalen-1-yltetrazole (PubChem CID 645672) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-naphthalen-1-yltetrazole.

Molecular Properties

Compound Name1-naphthalen-1-yltetrazole
PubChem CID645672
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name1-naphthalen-1-yltetrazole
SMILESc1ccc2c(-n3cnnn3)cccc2c1
InChIInChI=1S/C11H8N4/c1-2-6-10-9(4-1)5-3-7-11(10)15-8-12-13-14-15/h1-8H
InChIKeyOAARHCJLFHFWNI-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 16776027
1-(3-Trifluoromethyl-phenyl)-1H-tetrazole
CID 825506
1-Pyren-1-yl-1H-tetrazole
CID 856007
5-methanesulfonyl-1-(naphthalen-1-yl)-1H-1,2,3,4-tetrazole
CID 687203
1-(4-isopropyl-3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 3832457
1-(2-Phenylphenyl)tetrazole
CID 738194
1-(3,5-dimethylphenyl)-1H-tetrazole
CID 4648490
1-(4-Fluoro-2-methylphenyl)tetrazole
CID 164013306
1-(4-Methylphenyl)-1h-tetrazole
CID 270007
1-(4-Isopropylphenyl)tetrazole
CID 68011279
1-[1,1'-Biphenyl]-4-yl-1H-tetraazole
CID 606674
[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]methanamine hydrochloride
CID 122163724

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yltetrazole?
The IUPAC name of 1-naphthalen-1-yltetrazole (CID 645672) is 1-naphthalen-1-yltetrazole.
What is the SMILES notation for 1-naphthalen-1-yltetrazole?
The canonical SMILES for 1-naphthalen-1-yltetrazole is c1ccc2c(-n3cnnn3)cccc2c1.
What is the InChIKey of 1-naphthalen-1-yltetrazole?
The InChIKey is OAARHCJLFHFWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-6-10-9(4-1)5-3-7-11(10)15-8-12-13-14-15/h1-8H.
What are the key properties of 1-naphthalen-1-yltetrazole?
1-naphthalen-1-yltetrazole has a molecular weight of 196.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yltetrazole is sourced from PubChem (CID 645672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).