1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine

C12H15BrN4 — CID 43671298

IUPAC1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1nnn(-c2cccc(Br)c2)c1C
InChIInChI=1S/C12H15BrN4/c1-8(14-3)12-9(2)17(16-15-12)11-6-4-5-10(13)7-11/h4-8,14H,1-3H3
InChIKeyXNUISBGRVISJBY-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.62
Rot. Bonds3

About 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine

1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine (PubChem CID 43671298) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine
PubChem CID43671298
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1nnn(-c2cccc(Br)c2)c1C
InChIInChI=1S/C12H15BrN4/c1-8(14-3)12-9(2)17(16-15-12)11-6-4-5-10(13)7-11/h4-8,14H,1-3H3
InChIKeyXNUISBGRVISJBY-UHFFFAOYSA-N
XLogP2.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine 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

N-methyl-1-(5-methyl-1-pyridin-3-yltriazol-4-yl)ethanamine
CID 107586357
5-methyl-1-(3-methylphenyl)-4-propan-2-yltriazole
CID 170030388
1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671272
1-(3-bromophenyl)-N-tert-butyl-5-methyltriazole-4-carboxamide
CID 47299654
N-[1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethyl]propan-1-amine
CID 43671189
1-[1-(2-bromo-5-chloro-4-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 104725037
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
1-[1-(5-chloro-2-methylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671154
1-(3-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-methyltriazole-4-carboxamide
CID 55874451
N-[[1-(3-bromophenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 61270971
1-(3-bromophenyl)-N-(dicyclopropylmethyl)-5-methyltriazole-4-carboxamide
CID 87024267
[1-(3-bromophenyl)-5-methyltriazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560541

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine (CID 43671298) is 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine is CNC(C)c1nnn(-c2cccc(Br)c2)c1C.
What is the InChIKey of 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
The InChIKey is XNUISBGRVISJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-8(14-3)12-9(2)17(16-15-12)11-6-4-5-10(13)7-11/h4-8,14H,1-3H3.
What are the key properties of 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine?
1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine has a molecular weight of 295.18 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 43671298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).