1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine

C16H24N4 — CID 107431517

IUPAC1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine
SMILESCCc1c(C(N)CC)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N4/c1-5-14(17)16-15(6-2)20(19-18-16)13-9-7-12(8-10-13)11(3)4/h7-11,14H,5-6,17H2,1-4H3
InChIKeyNBSDPHIKTZLEII-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.36
Rot. Bonds5

About 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine

1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine (PubChem CID 107431517) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine
PubChem CID107431517
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine
SMILESCCc1c(C(N)CC)nnn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N4/c1-5-14(17)16-15(6-2)20(19-18-16)13-9-7-12(8-10-13)11(3)4/h7-11,14H,5-6,17H2,1-4H3
InChIKeyNBSDPHIKTZLEII-UHFFFAOYSA-N
XLogP3.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431508
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
[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol
CID 82197597
1-(5-ethyl-1-naphthalen-1-yltriazol-4-yl)propan-1-amine
CID 107431509
1-[5-ethyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
CID 107431443
1-[5-ethyl-1-(2,3,5-trifluorophenyl)triazol-4-yl]propan-1-amine
CID 107431682
1-[1-(2-bromo-4,6-dimethylphenyl)-5-ethyltriazol-4-yl]propan-1-amine
CID 107431741
N-ethyl-1-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]ethanamine
CID 43671245
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
5-butyl-1-(4-propan-2-ylphenyl)triazole-4-carbonitrile
CID 82197604

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine (CID 107431517) is 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine is CCc1c(C(N)CC)nnn1-c1ccc(C(C)C)cc1.
What is the InChIKey of 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine?
The InChIKey is NBSDPHIKTZLEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-5-14(17)16-15(6-2)20(19-18-16)13-9-7-12(8-10-13)11(3)4/h7-11,14H,5-6,17H2,1-4H3.
What are the key properties of 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine?
1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 107431517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).