2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine

C9H10BrN5 — CID 165471904

IUPAC2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine
SMILESNc1cnn(CCc2ccc(Br)cn2)n1
InChIInChI=1S/C9H10BrN5/c10-7-1-2-8(12-5-7)3-4-15-13-6-9(11)14-15/h1-2,5-6H,3-4H2,(H2,11,14)
InChIKeyCKHRBXOVFDWQLD-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.26
Rot. Bonds3

About 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine

2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine (PubChem CID 165471904) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine
PubChem CID165471904
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine
SMILESNc1cnn(CCc2ccc(Br)cn2)n1
InChIInChI=1S/C9H10BrN5/c10-7-1-2-8(12-5-7)3-4-15-13-6-9(11)14-15/h1-2,5-6H,3-4H2,(H2,11,14)
InChIKeyCKHRBXOVFDWQLD-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[2-(4-bromopyrazol-1-yl)ethyl]pyridine
CID 164645104
5-bromopyridin-2-amine;hydrochloride
CID 22615197
[1-[(5-bromo-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718140
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
3-[2-(5-bromo-2-pyridinyl)ethyl]pyridin-2-amine
CID 104811394
2-(3,3-difluoropropyl)triazol-4-amine
CID 84651323
4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
CID 104811937
1-(5-amino-1-methylpyrazol-4-yl)-2-(5-bromo-2-pyridinyl)ethanone
CID 104799005
4-(5-bromo-2-pyridinyl)butan-2-one
CID 104799733
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
2-[(2-bromothiophen-3-yl)methyl]triazol-4-amine
CID 165471829
5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine?
The IUPAC name of 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine (CID 165471904) is 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine.
What is the SMILES notation for 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine?
The canonical SMILES for 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine is Nc1cnn(CCc2ccc(Br)cn2)n1.
What is the InChIKey of 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine?
The InChIKey is CKHRBXOVFDWQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c10-7-1-2-8(12-5-7)3-4-15-13-6-9(11)14-15/h1-2,5-6H,3-4H2,(H2,11,14).
What are the key properties of 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine?
2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine has a molecular weight of 268.12 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-pyridinyl)ethyl]triazol-4-amine is sourced from PubChem (CID 165471904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).