5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine

C8H9BrN4 — CID 175065675

IUPAC5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine
SMILESCc1cc(N2C=NNC2)ncc1Br
InChIInChI=1S/C8H9BrN4/c1-6-2-8(10-3-7(6)9)13-4-11-12-5-13/h2-4,12H,5H2,1H3
InChIKeySNUURIFYNRCBDL-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.46
Rot. Bonds1

About 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine

5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine (PubChem CID 175065675) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine
PubChem CID175065675
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine
SMILESCc1cc(N2C=NNC2)ncc1Br
InChIInChI=1S/C8H9BrN4/c1-6-2-8(10-3-7(6)9)13-4-11-12-5-13/h2-4,12H,5H2,1H3
InChIKeySNUURIFYNRCBDL-UHFFFAOYSA-N
XLogP1.46
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine?
The IUPAC name of 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine (CID 175065675) is 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine?
The canonical SMILES for 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine is Cc1cc(N2C=NNC2)ncc1Br.
What is the InChIKey of 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine?
The InChIKey is SNUURIFYNRCBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c1-6-2-8(10-3-7(6)9)13-4-11-12-5-13/h2-4,12H,5H2,1H3.
What are the key properties of 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine?
5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine has a molecular weight of 241.09 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,5-dihydro-1,2,4-triazol-4-yl)-4-methylpyridine is sourced from PubChem (CID 175065675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).