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

C10H12BrN5 — CID 63330454

IUPAC5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCn1cnnc1CCNc1ccc(Br)cn1
InChIInChI=1S/C10H12BrN5/c1-16-7-14-15-10(16)4-5-12-9-3-2-8(11)6-13-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyIJLCLJORTBXXRQ-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.63
Rot. Bonds4

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

5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (PubChem CID 63330454) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
PubChem CID63330454
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine
SMILESCn1cnnc1CCNc1ccc(Br)cn1
InChIInChI=1S/C10H12BrN5/c1-16-7-14-15-10(16)4-5-12-9-3-2-8(11)6-13-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)
InChIKeyIJLCLJORTBXXRQ-UHFFFAOYSA-N
XLogP1.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine (CID 63330454) is 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is Cn1cnnc1CCNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
The InChIKey is IJLCLJORTBXXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c1-16-7-14-15-10(16)4-5-12-9-3-2-8(11)6-13-9/h2-3,6-7H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine?
5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine has a molecular weight of 282.14 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 63330454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).