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

C18H21N3O2 — CID 67955362

IUPAC1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole
SMILESCOc1cc2ccc(C(C(C)C)n3ccnn3)cc2cc1OC
InChIInChI=1S/C18H21N3O2/c1-12(2)18(21-8-7-19-20-21)14-6-5-13-10-16(22-3)17(23-4)11-15(13)9-14/h5-12,18H,1-4H3
InChIKeyQEZOREMRKLAITG-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.69
Rot. Bonds5

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

1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole (PubChem CID 67955362) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole.

Molecular Properties

Compound Name1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole
PubChem CID67955362
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole
SMILESCOc1cc2ccc(C(C(C)C)n3ccnn3)cc2cc1OC
InChIInChI=1S/C18H21N3O2/c1-12(2)18(21-8-7-19-20-21)14-6-5-13-10-16(22-3)17(23-4)11-15(13)9-14/h5-12,18H,1-4H3
InChIKeyQEZOREMRKLAITG-UHFFFAOYSA-N
XLogP3.69
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-chloronaphthalen-2-yl)propyl]triazole
CID 174631783
4-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]-2H-triazole
CID 69093181
2-[1-(3,4-dimethoxyphenyl)ethyl]pyrazol-3-amine
CID 3154159
2-[bis(3,4-dimethoxyphenyl)methyl]naphthalene
CID 56601628
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
2,9-di(propan-2-yl)pentacene
CID 153380534
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
3-ethoxy-2,6-di(propan-2-yl)naphthalene
CID 176586684
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395
5,6-dimethoxy-1-propan-2-ylindole
CID 134890484

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole?
The IUPAC name of 1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole (CID 67955362) is 1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole.
What is the SMILES notation for 1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole?
The canonical SMILES for 1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole is COc1cc2ccc(C(C(C)C)n3ccnn3)cc2cc1OC.
What is the InChIKey of 1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole?
The InChIKey is QEZOREMRKLAITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)18(21-8-7-19-20-21)14-6-5-13-10-16(22-3)17(23-4)11-15(13)9-14/h5-12,18H,1-4H3.
What are the key properties of 1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole?
1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole has a molecular weight of 311.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6,7-dimethoxynaphthalen-2-yl)-2-methylpropyl]triazole is sourced from PubChem (CID 67955362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).