3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine

C14H21BrN4 — CID 65347749

IUPAC3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)C(CCN)CCc1nnc2ccc(Br)cn12
InChIInChI=1S/C14H21BrN4/c1-10(2)11(7-8-16)3-5-13-17-18-14-6-4-12(15)9-19(13)14/h4,6,9-11H,3,5,7-8,16H2,1-2H3
InChIKeyJUMHDHKSPBMUPT-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.05
Rot. Bonds6

About 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine

3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine (PubChem CID 65347749) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine
PubChem CID65347749
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine
SMILESCC(C)C(CCN)CCc1nnc2ccc(Br)cn12
InChIInChI=1S/C14H21BrN4/c1-10(2)11(7-8-16)3-5-13-17-18-14-6-4-12(15)9-19(13)14/h4,6,9-11H,3,5,7-8,16H2,1-2H3
InChIKeyJUMHDHKSPBMUPT-UHFFFAOYSA-N
XLogP3.05
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine (CID 65347749) is 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine is CC(C)C(CCN)CCc1nnc2ccc(Br)cn12.
What is the InChIKey of 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine?
The InChIKey is JUMHDHKSPBMUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c1-10(2)11(7-8-16)3-5-13-17-18-14-6-4-12(15)9-19(13)14/h4,6,9-11H,3,5,7-8,16H2,1-2H3.
What are the key properties of 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine?
3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine has a molecular weight of 325.25 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 65347749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).