1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine

C8H15BrN4 — CID 106462704

IUPAC1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
SMILESCCCCC(N)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4/c1-3-4-5-6(10)7-8(9)11-12-13(7)2/h6H,3-5,10H2,1-2H3
InChIKeyLMIJMEHNOKVSOL-UHFFFAOYSA-N
MW247.14 g/mol
LogP1.77
Rot. Bonds4

About 1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine (PubChem CID 106462704) 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)pentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
PubChem CID106462704
Molecular FormulaC8H15BrN4
Molecular Weight247.14 g/mol
Exact Mass246.05
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
SMILESCCCCC(N)c1c(Br)nnn1C
InChIInChI=1S/C8H15BrN4/c1-3-4-5-6(10)7-8(9)11-12-13(7)2/h6H,3-5,10H2,1-2H3
InChIKeyLMIJMEHNOKVSOL-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
CID 106465292
1-(5-bromo-3-methyltriazol-4-yl)hexan-1-ol
CID 106461231
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxyethanamine
CID 106462551
methyl 2-(5-bromo-3-methyltriazol-4-yl)hexanoate
CID 106463363
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxypropan-1-amine
CID 106462416
2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
CID 127002795
1-(5-bromo-3-methyltriazol-4-yl)-3-(3-methylphenoxy)propan-1-amine
CID 106465361
1-(5-bromo-3-methyltriazol-4-yl)-2-propylpentan-1-ol
CID 106465426
1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
1-(5-bromo-3-methyltriazol-4-yl)-2-cyclohexylethanamine
CID 106464757
1-(5-bromo-3-methyltriazol-4-yl)-2-(3,4-difluorophenyl)ethanamine
CID 106464668

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine (CID 106462704) is 1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine is CCCCC(N)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine?
The InChIKey is LMIJMEHNOKVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN4/c1-3-4-5-6(10)7-8(9)11-12-13(7)2/h6H,3-5,10H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine has a molecular weight of 247.14 g/mol, XLogP of 1.77, 4 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)pentan-1-amine is sourced from PubChem (CID 106462704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).