1-naphthalen-2-yltetrazole

C11H8N4 — CID 27271180

IUPAC1-naphthalen-2-yltetrazole
SMILESc1ccc2cc(-n3cnnn3)ccc2c1
InChIInChI=1S/C11H8N4/c1-2-4-10-7-11(6-5-9(10)3-1)15-8-12-13-14-15/h1-8H
InChIKeyUMDOSWJUTAZSCW-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.82
Rot. Bonds1

About 1-naphthalen-2-yltetrazole

1-naphthalen-2-yltetrazole (PubChem CID 27271180) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-naphthalen-2-yltetrazole.

Molecular Properties

Compound Name1-naphthalen-2-yltetrazole
PubChem CID27271180
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name1-naphthalen-2-yltetrazole
SMILESc1ccc2cc(-n3cnnn3)ccc2c1
InChIInChI=1S/C11H8N4/c1-2-4-10-7-11(6-5-9(10)3-1)15-8-12-13-14-15/h1-8H
InChIKeyUMDOSWJUTAZSCW-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

1-(3-Trifluoromethyl-phenyl)-1H-tetrazole
CID 825506
1-Pyren-1-yl-1H-tetrazole
CID 856007
1-(naphthalen-1-yl)-1H-tetrazole
CID 645672
1-(4-isopropyl-3-methylphenyl)-1H-1,2,3,4-tetraazole
CID 3832457
1-(2-Phenylphenyl)tetrazole
CID 738194
1-(4-(Trifluoromethyl)phenyl)-1H-tetrazole
CID 46172872
1-(3,5-dimethylphenyl)-1H-tetrazole
CID 4648490
1-(4-Methylphenyl)-1h-tetrazole
CID 270007
1-(4-Isopropylphenyl)tetrazole
CID 68011279
2-[4-(Tetrazol-1-yl)phenyl]acetonitrile
CID 715079
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-2-yltetrazole?
The IUPAC name of 1-naphthalen-2-yltetrazole (CID 27271180) is 1-naphthalen-2-yltetrazole.
What is the SMILES notation for 1-naphthalen-2-yltetrazole?
The canonical SMILES for 1-naphthalen-2-yltetrazole is c1ccc2cc(-n3cnnn3)ccc2c1.
What is the InChIKey of 1-naphthalen-2-yltetrazole?
The InChIKey is UMDOSWJUTAZSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-4-10-7-11(6-5-9(10)3-1)15-8-12-13-14-15/h1-8H.
What are the key properties of 1-naphthalen-2-yltetrazole?
1-naphthalen-2-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-2-yltetrazole is sourced from PubChem (CID 27271180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).