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

C10H19BrN4O — CID 106462995

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-6-10(2,16-5)8(12-3)7-9(11)13-14-15(7)4/h8,12H,6H2,1-5H3
InChIKeyNITDOBAQKCJUEU-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.65
Rot. Bonds5

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

1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 106462995) has the molecular formula C10H19BrN4O and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine
PubChem CID106462995
Molecular FormulaC10H19BrN4O
Molecular Weight291.19 g/mol
Exact Mass290.07
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine
SMILESCCC(C)(OC)C(NC)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-6-10(2,16-5)8(12-3)7-9(11)13-14-15(7)4/h8,12H,6H2,1-5H3
InChIKeyNITDOBAQKCJUEU-UHFFFAOYSA-N
XLogP1.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114661565
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-3-methylbutan-1-ol
CID 106465546
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106462442
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106463119
1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine
CID 106464917
[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine
CID 106466227
[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106466600
1-(5-bromo-3-methyltriazol-4-yl)-N,2-dimethylpropan-1-amine
CID 106462131
1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine
CID 130589747
methyl 2-(5-bromo-3-methyltriazol-4-yl)butanoate
CID 106463370
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 106462385

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine (CID 106462995) is 1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine is CCC(C)(OC)C(NC)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is NITDOBAQKCJUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O/c1-6-10(2,16-5)8(12-3)7-9(11)13-14-15(7)4/h8,12H,6H2,1-5H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 291.19 g/mol, XLogP of 1.65, 5 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)-2-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 106462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).