1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine

C16H23BrN4 — CID 107431611

IUPAC1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnn(-c2ccc(Br)c(C)c2)c1CC
InChIInChI=1S/C16H23BrN4/c1-5-14(18-7-3)16-15(6-2)21(20-19-16)12-8-9-13(17)11(4)10-12/h8-10,14,18H,5-7H2,1-4H3
InChIKeyYCMRUTWIRXMUKN-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.96
Rot. Bonds6

About 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine

1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 107431611) has the molecular formula C16H23BrN4 and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
PubChem CID107431611
Molecular FormulaC16H23BrN4
Molecular Weight351.29 g/mol
Exact Mass350.11
IUPAC Name1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnn(-c2ccc(Br)c(C)c2)c1CC
InChIInChI=1S/C16H23BrN4/c1-5-14(18-7-3)16-15(6-2)21(20-19-16)12-8-9-13(17)11(4)10-12/h8-10,14,18H,5-7H2,1-4H3
InChIKeyYCMRUTWIRXMUKN-UHFFFAOYSA-N
XLogP3.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-bromophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431574
N-ethyl-1-[5-ethyl-1-(4-fluoro-2-methylphenyl)triazol-4-yl]propan-1-amine
CID 107431534
1-[1-(2,6-difluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431562
1-[1-(2-bromo-5-methylphenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431748
1-[1-(3,4-difluorophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431541
1-[1-(2-chlorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107431444
1-[1-(2-chloro-5-fluorophenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine
CID 107530955
1-[5-ethyl-1-(3-fluorophenyl)triazol-4-yl]-N-propylpropan-1-amine
CID 107431483
1-[1-(2,4-dibromophenyl)-5-ethyltriazol-4-yl]-N-methylpropan-1-amine
CID 107431655
1-(5-ethyl-1-pyrimidin-5-yltriazol-4-yl)-N-methylpropan-1-amine
CID 107589592
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431439
1-[5-ethyl-1-(5-fluoro-2-methylphenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 107431522

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine (CID 107431611) is 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnn(-c2ccc(Br)c(C)c2)c1CC.
What is the InChIKey of 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is YCMRUTWIRXMUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4/c1-5-14(18-7-3)16-15(6-2)21(20-19-16)12-8-9-13(17)11(4)10-12/h8-10,14,18H,5-7H2,1-4H3.
What are the key properties of 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine?
1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 351.29 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-3-methylphenyl)-5-ethyltriazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107431611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).