1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine

C11H15BrN4S — CID 106464716

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)s1)c1c(Br)nnn1C
InChIInChI=1S/C11H15BrN4S/c1-6-5-8(17-7(6)2)9(13-3)10-11(12)14-15-16(10)4/h5,9,13H,1-4H3
InChIKeyOUHMFOIIKUFDPT-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.56
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine

1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 106464716) has the molecular formula C11H15BrN4S and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
PubChem CID106464716
Molecular FormulaC11H15BrN4S
Molecular Weight315.24 g/mol
Exact Mass314.02
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(C)s1)c1c(Br)nnn1C
InChIInChI=1S/C11H15BrN4S/c1-6-5-8(17-7(6)2)9(13-3)10-11(12)14-15-16(10)4/h5,9,13H,1-4H3
InChIKeyOUHMFOIIKUFDPT-UHFFFAOYSA-N
XLogP2.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-3-methyltriazol-4-yl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 106465234
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043561
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 106464914
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 105040126
(5-bromo-4-methylthiophen-2-yl)-(5-bromo-3-methyltriazol-4-yl)methanamine
CID 106464575
1-(5-bromo-3-methyltriazol-4-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)-N-methylmethanamine
CID 106465124
[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 106466681
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 106465372
[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
2-[4-chloro-5-[(4,5-dimethylthiophen-2-yl)-(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105039045
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
CID 106462131

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine (CID 106464716) is 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine is CNC(c1cc(C)c(C)s1)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is OUHMFOIIKUFDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4S/c1-6-5-8(17-7(6)2)9(13-3)10-11(12)14-15-16(10)4/h5,9,13H,1-4H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine?
1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 315.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 106464716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).