4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine

C8H11BrN4 — CID 106463420

IUPAC4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCn1nnc(Br)c1C1=CCNCC1
InChIInChI=1S/C8H11BrN4/c1-13-7(8(9)11-12-13)6-2-4-10-5-3-6/h2,10H,3-5H2,1H3
InChIKeyVRIOJIIICODIMD-UHFFFAOYSA-N
MW243.11 g/mol
LogP0.95
Rot. Bonds1

About 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine

4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 106463420) has the molecular formula C8H11BrN4 and a molecular weight of 243.11 g/mol. Its IUPAC name is 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
PubChem CID106463420
Molecular FormulaC8H11BrN4
Molecular Weight243.11 g/mol
Exact Mass242.02
IUPAC Name4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCn1nnc(Br)c1C1=CCNCC1
InChIInChI=1S/C8H11BrN4/c1-13-7(8(9)11-12-13)6-2-4-10-5-3-6/h2,10H,3-5H2,1H3
InChIKeyVRIOJIIICODIMD-UHFFFAOYSA-N
XLogP0.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (CID 106463420) is 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is Cn1nnc(Br)c1C1=CCNCC1.
What is the InChIKey of 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is VRIOJIIICODIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4/c1-13-7(8(9)11-12-13)6-2-4-10-5-3-6/h2,10H,3-5H2,1H3.
What are the key properties of 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 243.11 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-3-methyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 106463420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).