4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole

C18H21N3O2 — CID 69093181

IUPAC4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole
SMILESCOc1cc2ccc(C(c3cn[nH]n3)C(C)C)cc2cc1OC
InChIInChI=1S/C18H21N3O2/c1-11(2)18(15-10-19-21-20-15)13-6-5-12-8-16(22-3)17(23-4)9-14(12)7-13/h5-11,18H,1-4H3,(H,19,20,21)
InChIKeyXZNMUMHNPGVTCT-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.76
Rot. Bonds5

About 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole

4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole (PubChem CID 69093181) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole.

Molecular Properties

Compound Name4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole
PubChem CID69093181
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole
SMILESCOc1cc2ccc(C(c3cn[nH]n3)C(C)C)cc2cc1OC
InChIInChI=1S/C18H21N3O2/c1-11(2)18(15-10-19-21-20-15)13-6-5-12-8-16(22-3)17(23-4)9-14(12)7-13/h5-11,18H,1-4H3,(H,19,20,21)
InChIKeyXZNMUMHNPGVTCT-UHFFFAOYSA-N
XLogP3.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole
CID 67955362
4-[2-(4-ethoxy-3-methoxyphenyl)propyl]-2H-triazole
CID 112719219
4-(1-chloroethyl)-2H-triazole
CID 54289123
4-[(2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(methoxymethyl)-3-methylbutyl]-2-methoxyphenol
CID 118710429
4-[(1R,2R)-2-bromo-1-(4-methoxyphenyl)propyl]-1,2-dimethoxybenzene
CID 134940292
2-(2H-triazol-4-yl)propyl formate
CID 174708411
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
CID 56601628
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
O-methyl N-[(4-amino-3-fluorophenyl)-(2H-triazol-4-yl)methyl]carbamothioate
CID 87912837
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
6,7-dimethoxynaphthalene-2-sulfonate
CID 18415261
2,9-di(propan-2-yl)pentacene
CID 153380534

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole?
The IUPAC name of 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole (CID 69093181) is 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole.
What is the SMILES notation for 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole?
The canonical SMILES for 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole is COc1cc2ccc(C(c3cn[nH]n3)C(C)C)cc2cc1OC.
What is the InChIKey of 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole?
The InChIKey is XZNMUMHNPGVTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(2)18(15-10-19-21-20-15)13-6-5-12-8-16(22-3)17(23-4)9-14(12)7-13/h5-11,18H,1-4H3,(H,19,20,21).
What are the key properties of 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole?
4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole has a molecular weight of 311.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole is sourced from PubChem (CID 69093181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).