N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine

C17H20N4 — CID 64547875

IUPACN-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCC(NCCCc1ncn[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N4/c1-13(18-10-4-7-17-19-12-20-21-17)15-9-8-14-5-2-3-6-16(14)11-15/h2-3,5-6,8-9,11-13,18H,4,7,10H2,1H3,(H,19,20,21)
InChIKeyWFBMPSUESUQHKA-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.24
Rot. Bonds6

About N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine

N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (PubChem CID 64547875) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
PubChem CID64547875
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
SMILESCC(NCCCc1ncn[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N4/c1-13(18-10-4-7-17-19-12-20-21-17)15-9-8-14-5-2-3-6-16(14)11-15/h2-3,5-6,8-9,11-13,18H,4,7,10H2,1H3,(H,19,20,21)
InChIKeyWFBMPSUESUQHKA-UHFFFAOYSA-N
XLogP3.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548139
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517608
N-[1-(4-propan-2-yloxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548241
N-[1-(4-ethoxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548047
N-[1-(2-chlorophenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547504
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555
N-[(1R)-1-naphthalen-2-ylethyl]octan-1-amine
CID 166642930
N-[1-(2-ethoxyphenyl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64517417
5-(1-naphthalen-2-ylethylamino)pentan-1-ol
CID 103912661
2-[1-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]naphthalen-1-ol
CID 64547757
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64547950

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The IUPAC name of N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine (CID 64547875) is N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is CC(NCCCc1ncn[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
The InChIKey is WFBMPSUESUQHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13(18-10-4-7-17-19-12-20-21-17)15-9-8-14-5-2-3-6-16(14)11-15/h2-3,5-6,8-9,11-13,18H,4,7,10H2,1H3,(H,19,20,21).
What are the key properties of N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine?
N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine is sourced from PubChem (CID 64547875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).