[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol

C19H21N3O3 — CID 134138700

IUPAC[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol
SMILESCC1(C)OCC(Cn2cc(C(O)c3ccc4ccccc4c3)nn2)O1
InChIInChI=1S/C19H21N3O3/c1-19(2)24-12-16(25-19)10-22-11-17(20-21-22)18(23)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11,16,18,23H,10,12H2,1-2H3
InChIKeyUJPUZUMXVSWITH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.66
Rot. Bonds4

About [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol

[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol (PubChem CID 134138700) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol
PubChem CID134138700
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol
SMILESCC1(C)OCC(Cn2cc(C(O)c3ccc4ccccc4c3)nn2)O1
InChIInChI=1S/C19H21N3O3/c1-19(2)24-12-16(25-19)10-22-11-17(20-21-22)18(23)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11,16,18,23H,10,12H2,1-2H3
InChIKeyUJPUZUMXVSWITH-UHFFFAOYSA-N
XLogP2.66
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol
CID 52948972
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-4-naphthalen-2-yltriazole
CID 134144986
(2R,3R,4R,5R)-5-fluoro-2-[4-(naphthalen-2-ylmethoxymethyl)triazol-1-yl]oxane-3,4-diol
CID 52946093
Ethyl 2-[4-[hydroxy(naphthalen-2-yl)methyl]triazol-1-yl]acetate
CID 134135914
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-naphthalen-2-yltriazole
CID 134138192
[1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 134140569
[1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]triazol-4-yl]-(4-methylphenyl)methanol
CID 134145237
[1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-(4-methylphenyl)methanol
CID 134151862
(1-Benzyltriazol-4-yl)-naphthalen-2-ylmethanol
CID 134157197
(4-Fluoronaphthalen-1-yl)-(3-propyltriazol-4-yl)methanol
CID 105602715
(4-Fluoronaphthalen-1-yl)-(3-methyltriazol-4-yl)methanol
CID 105602719
(4-Fluorophenyl)-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
CID 166401731

Frequently Asked Questions

What is the IUPAC name of [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol?
The IUPAC name of [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol (CID 134138700) is [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol.
What is the SMILES notation for [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol?
The canonical SMILES for [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol is CC1(C)OCC(Cn2cc(C(O)c3ccc4ccccc4c3)nn2)O1.
What is the InChIKey of [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol?
The InChIKey is UJPUZUMXVSWITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2)24-12-16(25-19)10-22-11-17(20-21-22)18(23)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11,16,18,23H,10,12H2,1-2H3.
What are the key properties of [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol?
[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol has a molecular weight of 339.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]triazol-4-yl]-naphthalen-2-ylmethanol is sourced from PubChem (CID 134138700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).