1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

C16H18N4 — CID 64548139

IUPAC1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncn[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C16H18N4/c1-12(17-9-8-16-18-11-19-20-16)14-7-6-13-4-2-3-5-15(13)10-14/h2-7,10-12,17H,8-9H2,1H3,(H,18,19,20)
InChIKeyDLULCAIPTQMCLF-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.85
Rot. Bonds5

About 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (PubChem CID 64548139) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
PubChem CID64548139
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCC(NCCc1ncn[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C16H18N4/c1-12(17-9-8-16-18-11-19-20-16)14-7-6-13-4-2-3-5-15(13)10-14/h2-7,10-12,17H,8-9H2,1H3,(H,18,19,20)
InChIKeyDLULCAIPTQMCLF-UHFFFAOYSA-N
XLogP2.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547875
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]naphthalen-1-ol
CID 64547757
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64547950
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 64548302
3-[1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 64547537
1-(4-nitrophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548130
3-methyl-1-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-1-amine
CID 64548527
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
1-(furan-2-yl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548319
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517608
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butan-2-amine
CID 64547951
N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548241

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (CID 64548139) is 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is CC(NCCc1ncn[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The InChIKey is DLULCAIPTQMCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(17-9-8-16-18-11-19-20-16)14-7-6-13-4-2-3-5-15(13)10-14/h2-7,10-12,17H,8-9H2,1H3,(H,18,19,20).
What are the key properties of 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 64548139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).