2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

C11H14BrN5 — CID 104802502

IUPAC2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1ncn[nH]1
InChIInChI=1S/C11H14BrN5/c1-2-14-10(11-15-7-16-17-11)4-8-3-9(12)6-13-5-8/h3,5-7,10,14H,2,4H2,1H3,(H,15,16,17)
InChIKeyNXWUKCLCUJNXPH-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.86
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 104802502) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID104802502
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCCNC(Cc1cncc(Br)c1)c1ncn[nH]1
InChIInChI=1S/C11H14BrN5/c1-2-14-10(11-15-7-16-17-11)4-8-3-9(12)6-13-5-8/h3,5-7,10,14H,2,4H2,1H3,(H,15,16,17)
InChIKeyNXWUKCLCUJNXPH-UHFFFAOYSA-N
XLogP1.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(3,5-dibromo-2-pyridinyl)-N-ethylethanamine
CID 104804061
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105181176
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 65360079
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360132
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 103040125
N-ethyl-1-(1H-1,2,4-triazol-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65360501
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylpentan-2-amine
CID 104799912
3-[2-(ethylamino)-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 65360457
3-(5-bromo-3-pyridinyl)-N-ethyl-1,1-dimethoxypropan-2-amine
CID 104803184

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 104802502) is 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is CCNC(Cc1cncc(Br)c1)c1ncn[nH]1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is NXWUKCLCUJNXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-2-14-10(11-15-7-16-17-11)4-8-3-9(12)6-13-5-8/h3,5-7,10,14H,2,4H2,1H3,(H,15,16,17).
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 296.17 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 104802502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).