N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine

C9H17BrN4O — CID 106462218

IUPACN-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1c(Br)nnn1C
InChIInChI=1S/C9H17BrN4O/c1-4-5-11-7(6-15-3)8-9(10)12-13-14(8)2/h7,11H,4-6H2,1-3H3
InChIKeyGAJHUXRWYPCIGA-UHFFFAOYSA-N
MW277.17 g/mol
LogP1.26
Rot. Bonds6

About N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine

N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine (PubChem CID 106462218) has the molecular formula C9H17BrN4O and a molecular weight of 277.17 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
PubChem CID106462218
Molecular FormulaC9H17BrN4O
Molecular Weight277.17 g/mol
Exact Mass276.06
IUPAC NameN-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
SMILESCCCNC(COC)c1c(Br)nnn1C
InChIInChI=1S/C9H17BrN4O/c1-4-5-11-7(6-15-3)8-9(10)12-13-14(8)2/h7,11H,4-6H2,1-3H3
InChIKeyGAJHUXRWYPCIGA-UHFFFAOYSA-N
XLogP1.26
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 106462207
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 106464746
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106465026
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 106462118
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 106462211
N-[1-(5-bromo-3-methyltriazol-4-yl)-2,2-difluoroethyl]propan-1-amine
CID 106465403
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(2,6-dichlorophenyl)ethyl]propan-1-amine
CID 106462247
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 106462568
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 106462943
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106464774
N-[(5-bromo-3-methyltriazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 106464590

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine (CID 106462218) is N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine is CCCNC(COC)c1c(Br)nnn1C.
What is the InChIKey of N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine?
The InChIKey is GAJHUXRWYPCIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN4O/c1-4-5-11-7(6-15-3)8-9(10)12-13-14(8)2/h7,11H,4-6H2,1-3H3.
What are the key properties of N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine?
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine has a molecular weight of 277.17 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine is sourced from PubChem (CID 106462218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).