3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

C12H14BrN5 — CID 82569112

IUPAC3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESBrc1cncc(-c2n[nH]c(C3CCNCC3)n2)c1
InChIInChI=1S/C12H14BrN5/c13-10-5-9(6-15-7-10)12-16-11(17-18-12)8-1-3-14-4-2-8/h5-8,14H,1-4H2,(H,16,17,18)
InChIKeyPUWCKQMCNHQVJX-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.10
Rot. Bonds2

About 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 82569112) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID82569112
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC Name3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESBrc1cncc(-c2n[nH]c(C3CCNCC3)n2)c1
InChIInChI=1S/C12H14BrN5/c13-10-5-9(6-15-7-10)12-16-11(17-18-12)8-1-3-14-4-2-8/h5-8,14H,1-4H2,(H,16,17,18)
InChIKeyPUWCKQMCNHQVJX-UHFFFAOYSA-N
XLogP2.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)aniline
CID 66487005
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine;hydrochloride
CID 68759356
4-[3-(5-bromofuran-2-yl)-1H-1,2,4-triazol-5-yl]piperidine
CID 54773332
5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67027843
2-methyl-4-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine;dihydrochloride
CID 67028379
2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67055603
3-(3-bromo-4-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 107989217
4-(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)phenol
CID 136699736
3-(3-bromo-4-methylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81471748
2-bromo-5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
CID 107814437
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 68755908

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 82569112) is 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is Brc1cncc(-c2n[nH]c(C3CCNCC3)n2)c1.
What is the InChIKey of 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is PUWCKQMCNHQVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c13-10-5-9(6-15-7-10)12-16-11(17-18-12)8-1-3-14-4-2-8/h5-8,14H,1-4H2,(H,16,17,18).
What are the key properties of 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 308.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 82569112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).