5-naphthalen-1-yl-2H-tetrazole

C11H8N4 — CID 561201

IUPAC5-naphthalen-1-yl-2H-tetrazole
SMILESc1ccc2c(-c3nn[nH]n3)cccc2c1
InChIInChI=1S/C11H8N4/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-14-15-13-11/h1-7H,(H,12,13,14,15)
InChIKeyBWQPGBPTSZZQQV-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.02
Rot. Bonds1

About 5-naphthalen-1-yl-2H-tetrazole

5-naphthalen-1-yl-2H-tetrazole (PubChem CID 561201) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-naphthalen-1-yl-2H-tetrazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-2H-tetrazole
PubChem CID561201
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name5-naphthalen-1-yl-2H-tetrazole
SMILESc1ccc2c(-c3nn[nH]n3)cccc2c1
InChIInChI=1S/C11H8N4/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-14-15-13-11/h1-7H,(H,12,13,14,15)
InChIKeyBWQPGBPTSZZQQV-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(trifluoromethyl)phenyl]-2H-1,2,3,4-tetrazole
CID 706933
5-(2-methylphenyl)-2H-1,2,3,4-tetrazole
CID 583067
5,5'-(1,2-Phenylene)bis-1H-tetrazole
CID 788681
5-(4'-Methyl-1,1'-biphenyl-2-yl)-1H-tetrazole
CID 9794697
5-(m-Tolyl)-1H-tetrazole
CID 583308
5,5'-(1,3-Phenylene)bis(1H-1,2,3,4-tetrazole)
CID 4058493
5-(4-ethylphenyl)-2H-1,2,3,4-tetrazole
CID 647221
5-biphenyl-2-yl-1H-tetrazole
CID 15207492
5-[4-(propan-2-yl)phenyl]-1H-1,2,3,4-tetrazole
CID 858905
5-[4'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]-1H-1,2,3,4-tetrazole
CID 59248649
2H-Tetrazole, 5-[1,1'-biphenyl]-4-yl-
CID 112946
5-[2-[(3Z)-2-methyl-3-(naphthalen-1-ylmethylidene)inden-1-yl]ethyl]-2H-tetrazole
CID 155520949

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-2H-tetrazole?
The IUPAC name of 5-naphthalen-1-yl-2H-tetrazole (CID 561201) is 5-naphthalen-1-yl-2H-tetrazole.
What is the SMILES notation for 5-naphthalen-1-yl-2H-tetrazole?
The canonical SMILES for 5-naphthalen-1-yl-2H-tetrazole is c1ccc2c(-c3nn[nH]n3)cccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-2H-tetrazole?
The InChIKey is BWQPGBPTSZZQQV-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/h1-7H,(H,12,13,14,15).
What are the key properties of 5-naphthalen-1-yl-2H-tetrazole?
5-naphthalen-1-yl-2H-tetrazole has a molecular weight of 196.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-2H-tetrazole is sourced from PubChem (CID 561201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).