1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde

C19H13N3O — CID 82199758

IUPAC1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde
SMILESO=Cc1nnn(-c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C19H13N3O/c23-13-17-19(15-8-2-1-3-9-15)22(21-20-17)18-12-6-10-14-7-4-5-11-16(14)18/h1-13H
InChIKeyYCRUCWGHIYACGC-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.90
Rot. Bonds3

About 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde

1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde (PubChem CID 82199758) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde
PubChem CID82199758
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde
SMILESO=Cc1nnn(-c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C19H13N3O/c23-13-17-19(15-8-2-1-3-9-15)22(21-20-17)18-12-6-10-14-7-4-5-11-16(14)18/h1-13H
InChIKeyYCRUCWGHIYACGC-UHFFFAOYSA-N
XLogP3.90
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde?
The IUPAC name of 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde (CID 82199758) is 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde.
What is the SMILES notation for 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde?
The canonical SMILES for 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde is O=Cc1nnn(-c2cccc3ccccc23)c1-c1ccccc1.
What is the InChIKey of 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde?
The InChIKey is YCRUCWGHIYACGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-13-17-19(15-8-2-1-3-9-15)22(21-20-17)18-12-6-10-14-7-4-5-11-16(14)18/h1-13H.
What are the key properties of 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde?
1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde has a molecular weight of 299.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde is sourced from PubChem (CID 82199758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).