1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine

C17H20N4 — CID 105161829

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine
SMILESCCn1ncnc1CC(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H20N4/c1-2-21-17(19-12-20-21)11-16(18)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12,16H,2,10-11,18H2,1H3
InChIKeyKRKIUNPEWRTYQH-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.56
Rot. Bonds5

About 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine

1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine (PubChem CID 105161829) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine
PubChem CID105161829
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine
SMILESCCn1ncnc1CC(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C17H20N4/c1-2-21-17(19-12-20-21)11-16(18)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12,16H,2,10-11,18H2,1H3
InChIKeyKRKIUNPEWRTYQH-UHFFFAOYSA-N
XLogP2.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002034
1-(2-ethyl-1,2,4-triazol-3-yl)octan-2-amine
CID 105002075
(2S)-3-naphthalen-2-ylpropane-1,2-diamine
CID 68655255
1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine
CID 105151939
[1-(2-ethylpyrazol-3-yl)-2-naphthalen-2-ylethyl]hydrazine
CID 105307222
4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003135
1-(3,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001811
1-(2,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001942
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
1-(3-bromothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002274
1-(2-ethyl-1,2,4-triazol-3-yl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 79052076
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405884

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine (CID 105161829) is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine is CCn1ncnc1CC(N)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine?
The InChIKey is KRKIUNPEWRTYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-21-17(19-12-20-21)11-16(18)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,12,16H,2,10-11,18H2,1H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine?
1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-naphthalen-2-ylpropan-2-amine is sourced from PubChem (CID 105161829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).