3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine

C13H16BrN5 — CID 167804488

IUPAC3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine
SMILESBrc1cncc(C2CCCN2CCc2cn[nH]n2)c1
InChIInChI=1S/C13H16BrN5/c14-11-6-10(7-15-8-11)13-2-1-4-19(13)5-3-12-9-16-18-17-12/h6-9,13H,1-5H2,(H,16,17,18)
InChIKeyIKEPPMNJMXOMLJ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.34
Rot. Bonds4

About 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine

3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine (PubChem CID 167804488) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine
PubChem CID167804488
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine
SMILESBrc1cncc(C2CCCN2CCc2cn[nH]n2)c1
InChIInChI=1S/C13H16BrN5/c14-11-6-10(7-15-8-11)13-2-1-4-19(13)5-3-12-9-16-18-17-12/h6-9,13H,1-5H2,(H,16,17,18)
InChIKeyIKEPPMNJMXOMLJ-UHFFFAOYSA-N
XLogP2.34
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine 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

1,2,3-Triazole analogue, 27
CID 9833992
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
2-bromo-4-(1H-1,2,3-triazol-4-yl)pyridine
CID 60156093
3-[3-(4-Bromophenyl)triazol-4-yl]pyridine
CID 13714299
5-bromo-2-(2H-1,2,3-triazol-4-yl)pyridine
CID 9920932
4-[3-(3-Bromophenyl)triazol-4-yl]pyridine
CID 13714294
2-(1-methylpyrazol-3-yl)-4-(2H-triazol-4-yl)pyridine
CID 164627951
3-(1-Octyltriazol-4-yl)pyridine
CID 101960936
4-Methyl-3-pyridyltriazole
CID 129694503
3-(5-phenyl-2H-triazol-4-yl)pyridine
CID 141727900

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine (CID 167804488) is 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine is Brc1cncc(C2CCCN2CCc2cn[nH]n2)c1.
What is the InChIKey of 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine?
The InChIKey is IKEPPMNJMXOMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c14-11-6-10(7-15-8-11)13-2-1-4-19(13)5-3-12-9-16-18-17-12/h6-9,13H,1-5H2,(H,16,17,18).
What are the key properties of 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine?
3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine has a molecular weight of 322.21 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-[2-(2H-triazol-4-yl)ethyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 167804488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).