5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole

C12H12N4O — CID 142854255

IUPAC5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole
SMILESCOc1ccc(C2N=NNN2)c2ccccc12
InChIInChI=1S/C12H12N4O/c1-17-11-7-6-10(12-13-15-16-14-12)8-4-2-3-5-9(8)11/h2-7,12H,1H3,(H,13,16)(H,14,15)
InChIKeyUFEMVPWRFQXRFI-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.32
Rot. Bonds2

About 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole

5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole (PubChem CID 142854255) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole.

Molecular Properties

Compound Name5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole
PubChem CID142854255
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole
SMILESCOc1ccc(C2N=NNN2)c2ccccc12
InChIInChI=1S/C12H12N4O/c1-17-11-7-6-10(12-13-15-16-14-12)8-4-2-3-5-9(8)11/h2-7,12H,1H3,(H,13,16)(H,14,15)
InChIKeyUFEMVPWRFQXRFI-UHFFFAOYSA-N
XLogP2.32
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidine;hydrochloride
CID 171196102
5-(4-methoxynaphthalen-1-yl)oxolan-2-one
CID 103439901
1-methoxy-4-(4-methoxynaphthalen-1-yl)sulfanylnaphthalene
CID 14147524
1,3-dibenzyl-2-(4-methoxynaphthalen-1-yl)imidazolidine-1,3-diium
CID 5051406
(4R)-4-(4-methoxynaphthalen-1-yl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171188689
1-chloro-4-methoxynaphthalene
CID 606038
1-methoxy-4-[4-(4-methoxynaphthalen-1-yl)oxyphenoxy]naphthalene
CID 146547657
1,4-dimethoxybenzo[7]annulen-7-one
CID 11042148
1,3,5-tris(chloromethyl)-2-(4-methoxynaphthalen-1-yl)-1,3,5-triazinane
CID 157497611
methyl (4S)-4-(4-methoxynaphthalen-1-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 838219
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole?
The IUPAC name of 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole (CID 142854255) is 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole.
What is the SMILES notation for 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole?
The canonical SMILES for 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole is COc1ccc(C2N=NNN2)c2ccccc12.
What is the InChIKey of 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole?
The InChIKey is UFEMVPWRFQXRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-17-11-7-6-10(12-13-15-16-14-12)8-4-2-3-5-9(8)11/h2-7,12H,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole?
5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole has a molecular weight of 228.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxynaphthalen-1-yl)-2,5-dihydro-1H-tetrazole is sourced from PubChem (CID 142854255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).