1-(1-naphthalen-1-yltriazol-4-yl)ethanol

C14H13N3O — CID 81445099

IUPAC1-(1-naphthalen-1-yltriazol-4-yl)ethanol
SMILESCC(O)c1cn(-c2cccc3ccccc23)nn1
InChIInChI=1S/C14H13N3O/c1-10(18)13-9-17(16-15-13)14-8-4-6-11-5-2-3-7-12(11)14/h2-10,18H,1H3
InChIKeyWPOCTYYUXLCFAT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds2

About 1-(1-naphthalen-1-yltriazol-4-yl)ethanol

1-(1-naphthalen-1-yltriazol-4-yl)ethanol (PubChem CID 81445099) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(1-naphthalen-1-yltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-naphthalen-1-yltriazol-4-yl)ethanol
PubChem CID81445099
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(1-naphthalen-1-yltriazol-4-yl)ethanol
SMILESCC(O)c1cn(-c2cccc3ccccc23)nn1
InChIInChI=1S/C14H13N3O/c1-10(18)13-9-17(16-15-13)14-8-4-6-11-5-2-3-7-12(11)14/h2-10,18H,1H3
InChIKeyWPOCTYYUXLCFAT-UHFFFAOYSA-N
XLogP2.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-yltriazol-4-yl)ethanol?
The IUPAC name of 1-(1-naphthalen-1-yltriazol-4-yl)ethanol (CID 81445099) is 1-(1-naphthalen-1-yltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-naphthalen-1-yltriazol-4-yl)ethanol?
The canonical SMILES for 1-(1-naphthalen-1-yltriazol-4-yl)ethanol is CC(O)c1cn(-c2cccc3ccccc23)nn1.
What is the InChIKey of 1-(1-naphthalen-1-yltriazol-4-yl)ethanol?
The InChIKey is WPOCTYYUXLCFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10(18)13-9-17(16-15-13)14-8-4-6-11-5-2-3-7-12(11)14/h2-10,18H,1H3.
What are the key properties of 1-(1-naphthalen-1-yltriazol-4-yl)ethanol?
1-(1-naphthalen-1-yltriazol-4-yl)ethanol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-yltriazol-4-yl)ethanol is sourced from PubChem (CID 81445099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).