1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine

C8H15BrN4 — CID 106462131

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1c(Br)nnn1C)C(C)C
InChIInChI=1S/C8H15BrN4/c1-5(2)6(10-3)7-8(9)11-12-13(7)4/h5-6,10H,1-4H3
InChIKeyRNAJLHAJDMJWDD-UHFFFAOYSA-N
MW247.14 g/mol
LogP1.49
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine (PubChem CID 106462131) has the molecular formula C8H15BrN4 and a molecular weight of 247.14 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
PubChem CID106462131
Molecular FormulaC8H15BrN4
Molecular Weight247.14 g/mol
Exact Mass246.05
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(c1c(Br)nnn1C)C(C)C
InChIInChI=1S/C8H15BrN4/c1-5(2)6(10-3)7-8(9)11-12-13(7)4/h5-6,10H,1-4H3
InChIKeyRNAJLHAJDMJWDD-UHFFFAOYSA-N
XLogP1.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N-methyl-2-phenylethanamine
CID 106463054
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299
[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine
CID 106466227
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 106464880
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106462442
N-[1-(5-bromo-3-methyltriazol-4-yl)-2,2-difluoroethyl]propan-1-amine
CID 106465403
3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 106463919
1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine
CID 130589747
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 106462912
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 106464914
1-(5-bromo-3-methyltriazol-4-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 106462242

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine (CID 106462131) is 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine is CNC(c1c(Br)nnn1C)C(C)C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is RNAJLHAJDMJWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN4/c1-5(2)6(10-3)7-8(9)11-12-13(7)4/h5-6,10H,1-4H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 247.14 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 106462131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).