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

C14H14N4 — CID 116641542

IUPAC2-(1-naphthalen-1-yltriazol-4-yl)ethanamine
SMILESNCCc1cn(-c2cccc3ccccc23)nn1
InChIInChI=1S/C14H14N4/c15-9-8-12-10-18(17-16-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10H,8-9,15H2
InChIKeyWNXDFRFOQDVCQQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.92
Rot. Bonds3

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

2-(1-naphthalen-1-yltriazol-4-yl)ethanamine (PubChem CID 116641542) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1-naphthalen-1-yltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-naphthalen-1-yltriazol-4-yl)ethanamine
PubChem CID116641542
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(1-naphthalen-1-yltriazol-4-yl)ethanamine
SMILESNCCc1cn(-c2cccc3ccccc23)nn1
InChIInChI=1S/C14H14N4/c15-9-8-12-10-18(17-16-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10H,8-9,15H2
InChIKeyWNXDFRFOQDVCQQ-UHFFFAOYSA-N
XLogP1.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-yltriazol-4-yl)ethanamine?
The IUPAC name of 2-(1-naphthalen-1-yltriazol-4-yl)ethanamine (CID 116641542) is 2-(1-naphthalen-1-yltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-naphthalen-1-yltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-naphthalen-1-yltriazol-4-yl)ethanamine is NCCc1cn(-c2cccc3ccccc23)nn1.
What is the InChIKey of 2-(1-naphthalen-1-yltriazol-4-yl)ethanamine?
The InChIKey is WNXDFRFOQDVCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-9-8-12-10-18(17-16-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-7,10H,8-9,15H2.
What are the key properties of 2-(1-naphthalen-1-yltriazol-4-yl)ethanamine?
2-(1-naphthalen-1-yltriazol-4-yl)ethanamine has a molecular weight of 238.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-yltriazol-4-yl)ethanamine is sourced from PubChem (CID 116641542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).