1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine

C10H19BrN4O — CID 106462207

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-4-6-12-8(5-7-16-3)9-10(11)13-14-15(9)2/h8,12H,4-7H2,1-3H3
InChIKeyHMDWYOKHKCEPCE-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.65
Rot. Bonds7

About 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine (PubChem CID 106462207) 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)-3-methoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
PubChem CID106462207
Molecular FormulaC10H19BrN4O
Molecular Weight291.19 g/mol
Exact Mass290.07
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1c(Br)nnn1C
InChIInChI=1S/C10H19BrN4O/c1-4-6-12-8(5-7-16-3)9-10(11)13-14-15(9)2/h8,12H,4-7H2,1-3H3
InChIKeyHMDWYOKHKCEPCE-UHFFFAOYSA-N
XLogP1.65
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 106464746
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol
CID 106461801
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-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 106462943
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
3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 106463919
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106464774

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine (CID 106462207) is 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine is CCCNC(CCOC)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine?
The InChIKey is HMDWYOKHKCEPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O/c1-4-6-12-8(5-7-16-3)9-10(11)13-14-15(9)2/h8,12H,4-7H2,1-3H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine has a molecular weight of 291.19 g/mol, XLogP of 1.65, 7 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)-3-methoxy-N-propylpropan-1-amine is sourced from PubChem (CID 106462207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).