1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine

C12H16BrN5 — CID 106465261

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1c(Br)nnn1C
InChIInChI=1S/C12H16BrN5/c1-14-10(11-12(13)16-17-18(11)2)7-6-9-5-3-4-8-15-9/h3-5,8,10,14H,6-7H2,1-2H3
InChIKeyQVSNTGJAQADDNB-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.87
Rot. Bonds5

About 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 106465261) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID106465261
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1c(Br)nnn1C
InChIInChI=1S/C12H16BrN5/c1-14-10(11-12(13)16-17-18(11)2)7-6-9-5-3-4-8-15-9/h3-5,8,10,14H,6-7H2,1-2H3
InChIKeyQVSNTGJAQADDNB-UHFFFAOYSA-N
XLogP1.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)-2-(2-chlorophenyl)-N-methylethanamine
CID 106462242
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184130
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
1-(3-bromo-2-fluorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106647594
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105183735
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 106462299
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105140831
1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105120431
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106462442
N-methyl-1-(5-methyl-3-pyridinyl)-3-pyridin-2-ylpropan-1-amine
CID 105173940
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 106465261) is 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine is CNC(CCc1ccccn1)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is QVSNTGJAQADDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-14-10(11-12(13)16-17-18(11)2)7-6-9-5-3-4-8-15-9/h3-5,8,10,14H,6-7H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 310.20 g/mol, XLogP of 1.87, 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)-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 106465261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).