1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine

C17H20N4 — CID 107431509

IUPAC1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine
SMILESCCc1c(C(N)CC)nnn1-c1cccc2ccccc12
InChIInChI=1S/C17H20N4/c1-3-14(18)17-15(4-2)21(20-19-17)16-11-7-9-12-8-5-6-10-13(12)16/h5-11,14H,3-4,18H2,1-2H3
InChIKeyGEIJDIXWHMFJFB-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.39
Rot. Bonds4

About 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine

1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine (PubChem CID 107431509) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine
PubChem CID107431509
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine
SMILESCCc1c(C(N)CC)nnn1-c1cccc2ccccc12
InChIInChI=1S/C17H20N4/c1-3-14(18)17-15(4-2)21(20-19-17)16-11-7-9-12-8-5-6-10-13(12)16/h5-11,14H,3-4,18H2,1-2H3
InChIKeyGEIJDIXWHMFJFB-UHFFFAOYSA-N
XLogP3.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
CID 107431443
1-(5-ethyl-1-phenyltriazol-4-yl)propan-1-amine
CID 107431554
1-[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431480
1-[1-(4-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431508
1-[5-ethyl-1-(2,3,5-trifluorophenyl)triazol-4-yl]propan-1-amine
CID 107431682
5-(2-methylpropyl)-1-naphthalen-1-yltriazole-4-carbaldehyde
CID 82199745
1-[1-(4-bromo-5-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431765
1-[1-(5-bromo-4-fluoro-2-methylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107593569
1-[1-(3,5-dichloro-4-fluorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107577515
1-[1-(2-bromo-4,6-dimethylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431741
1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431574
1-[1-(2-chlorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431444

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine?
The IUPAC name of 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine (CID 107431509) is 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine is CCc1c(C(N)CC)nnn1-c1cccc2ccccc12.
What is the InChIKey of 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine?
The InChIKey is GEIJDIXWHMFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-14(18)17-15(4-2)21(20-19-17)16-11-7-9-12-8-5-6-10-13(12)16/h5-11,14H,3-4,18H2,1-2H3.
What are the key properties of 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine?
1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 107431509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).