2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine

C14H14N4 — CID 62952070

IUPAC2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESNCCc1nc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C14H14N4/c15-9-8-13-16-14(18-17-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,15H2,(H,16,17,18)
InChIKeyXJCTZYGGNPQHDH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.13
Rot. Bonds3

About 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine

2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 62952070) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID62952070
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESNCCc1nc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C14H14N4/c15-9-8-13-16-14(18-17-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,15H2,(H,16,17,18)
InChIKeyXJCTZYGGNPQHDH-UHFFFAOYSA-N
XLogP2.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine (CID 62952070) is 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine is NCCc1nc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is XJCTZYGGNPQHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-9-8-13-16-14(18-17-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9,15H2,(H,16,17,18).
What are the key properties of 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine?
2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 62952070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).