(1-naphthalen-2-yltriazol-4-yl)methanol

C13H11N3O — CID 55066794

IUPAC(1-naphthalen-2-yltriazol-4-yl)methanol
SMILESOCc1cn(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C13H11N3O/c17-9-12-8-16(15-14-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-8,17H,9H2
InChIKeyMMPNYQMWEFZYCY-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.91
Rot. Bonds2

About (1-naphthalen-2-yltriazol-4-yl)methanol

(1-naphthalen-2-yltriazol-4-yl)methanol (PubChem CID 55066794) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is (1-naphthalen-2-yltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-naphthalen-2-yltriazol-4-yl)methanol
PubChem CID55066794
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name(1-naphthalen-2-yltriazol-4-yl)methanol
SMILESOCc1cn(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C13H11N3O/c17-9-12-8-16(15-14-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-8,17H,9H2
InChIKeyMMPNYQMWEFZYCY-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-naphthalen-2-yltriazol-4-yl)methanol?
The IUPAC name of (1-naphthalen-2-yltriazol-4-yl)methanol (CID 55066794) is (1-naphthalen-2-yltriazol-4-yl)methanol.
What is the SMILES notation for (1-naphthalen-2-yltriazol-4-yl)methanol?
The canonical SMILES for (1-naphthalen-2-yltriazol-4-yl)methanol is OCc1cn(-c2ccc3ccccc3c2)nn1.
What is the InChIKey of (1-naphthalen-2-yltriazol-4-yl)methanol?
The InChIKey is MMPNYQMWEFZYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-9-12-8-16(15-14-12)13-6-5-10-3-1-2-4-11(10)7-13/h1-8,17H,9H2.
What are the key properties of (1-naphthalen-2-yltriazol-4-yl)methanol?
(1-naphthalen-2-yltriazol-4-yl)methanol has a molecular weight of 225.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-naphthalen-2-yltriazol-4-yl)methanol is sourced from PubChem (CID 55066794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).