5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine

C12H16BrN5 — CID 133403567

IUPAC5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine
SMILESCCc1nncn1CCNc1cc(C)c(Br)cn1
InChIInChI=1S/C12H16BrN5/c1-3-12-17-16-8-18(12)5-4-14-11-6-9(2)10(13)7-15-11/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyGZDBWQLYCMXVEE-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.42
Rot. Bonds5

About 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine

5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine (PubChem CID 133403567) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine
PubChem CID133403567
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine
SMILESCCc1nncn1CCNc1cc(C)c(Br)cn1
InChIInChI=1S/C12H16BrN5/c1-3-12-17-16-8-18(12)5-4-14-11-6-9(2)10(13)7-15-11/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyGZDBWQLYCMXVEE-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
N'-(5-bromo-4-methyl-2-pyridinyl)butane-1,4-diamine
CID 114869070
5-bromo-4-methyl-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 113340018
5-bromo-4-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]pyridin-2-amine
CID 133423602
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]cyclopentanamine
CID 115656753
5-bromo-4-methyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 115774199
5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine
CID 83266029
5-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]pyridin-2-amine
CID 114869282

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine (CID 133403567) is 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine is CCc1nncn1CCNc1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine?
The InChIKey is GZDBWQLYCMXVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-3-12-17-16-8-18(12)5-4-14-11-6-9(2)10(13)7-15-11/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine?
5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine has a molecular weight of 310.20 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 133403567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).