2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine

C16H18N4 — CID 63328798

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCn1cnnc1CCNCc1cccc2ccccc12
InChIInChI=1S/C16H18N4/c1-20-12-18-19-16(20)9-10-17-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,17H,9-11H2,1H3
InChIKeyWHTZPYAKONLTBE-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.30
Rot. Bonds5

About 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine

2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine (PubChem CID 63328798) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine
PubChem CID63328798
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine
SMILESCn1cnnc1CCNCc1cccc2ccccc12
InChIInChI=1S/C16H18N4/c1-20-12-18-19-16(20)9-10-17-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,17H,9-11H2,1H3
InChIKeyWHTZPYAKONLTBE-UHFFFAOYSA-N
XLogP2.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55202283
N-[(2-chloro-3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 112652052
N-[(2,6-dichlorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329248
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-naphthalen-1-ylethanamine
CID 63329032
N-[(2-methyltetrazol-5-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 107042355
N-(1-benzofuran-2-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 55201328
2-ethoxy-6-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]phenol
CID 63329108
4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 107730834
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82759810
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332710
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329024
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63332180

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine (CID 63328798) is 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine is Cn1cnnc1CCNCc1cccc2ccccc12.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
The InChIKey is WHTZPYAKONLTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-20-12-18-19-16(20)9-10-17-11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12,17H,9-11H2,1H3.
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine?
2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)ethanamine is sourced from PubChem (CID 63328798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).