N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine

C16H24N4 — CID 43671206

IUPACN-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine
SMILESCCNC(C)c1nnn(-c2ccccc2C(C)C)c1C
InChIInChI=1S/C16H24N4/c1-6-17-12(4)16-13(5)20(19-18-16)15-10-8-7-9-14(15)11(2)3/h7-12,17H,6H2,1-5H3
InChIKeySHXBRSUSCICUGE-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.37
Rot. Bonds5

About N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine

N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine (PubChem CID 43671206) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine
PubChem CID43671206
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine
SMILESCCNC(C)c1nnn(-c2ccccc2C(C)C)c1C
InChIInChI=1S/C16H24N4/c1-6-17-12(4)16-13(5)20(19-18-16)15-10-8-7-9-14(15)11(2)3/h7-12,17H,6H2,1-5H3
InChIKeySHXBRSUSCICUGE-UHFFFAOYSA-N
XLogP3.37
TPSA42.74 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[5-methyl-1-(4-propan-2-ylphenyl)triazol-4-yl]ethanamine
CID 43671245
4,5-dimethyl-1-(2-propan-2-ylphenyl)triazole
CID 58328305
1-[1-(4-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 43671119
1-[1-(4-bromo-2,3-dichlorophenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 107792886
N-ethyl-1-[1-(4-ethylphenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671214
N-[1-[1-(2,3-dimethylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671182
1-[1-(5-bromo-2-fluorophenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 43671415
1-[1-(2-bromo-5-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 104725036
1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 62129570
1-[1-(3,5-dichloro-4-fluorophenyl)-5-methyltriazol-4-yl]-N-ethylethanamine
CID 107577513
N-[1-[1-(1,3-dimethylpyrazol-4-yl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 102806980
N-[1-[1-(2-fluoro-5-methylphenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671334

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine (CID 43671206) is N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine is CCNC(C)c1nnn(-c2ccccc2C(C)C)c1C.
What is the InChIKey of N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine?
The InChIKey is SHXBRSUSCICUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-6-17-12(4)16-13(5)20(19-18-16)15-10-8-7-9-14(15)11(2)3/h7-12,17H,6H2,1-5H3.
What are the key properties of N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine?
N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine has a molecular weight of 272.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-methyl-1-(2-propan-2-ylphenyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 43671206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).