6-bromo-1-methyltriazolo[4,5-c]pyridine

C6H5BrN4 — CID 170626731

IUPAC6-bromo-1-methyltriazolo[4,5-c]pyridine
SMILESCn1nnc2cnc(Br)cc21
InChIInChI=1S/C6H5BrN4/c1-11-5-2-6(7)8-3-4(5)9-10-11/h2-3H,1H3
InChIKeyVWZRLPCWCDVTTH-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.13
Rot. Bonds

About 6-bromo-1-methyltriazolo[4,5-c]pyridine

6-bromo-1-methyltriazolo[4,5-c]pyridine (PubChem CID 170626731) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 6-bromo-1-methyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-bromo-1-methyltriazolo[4,5-c]pyridine
PubChem CID170626731
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name6-bromo-1-methyltriazolo[4,5-c]pyridine
SMILESCn1nnc2cnc(Br)cc21
InChIInChI=1S/C6H5BrN4/c1-11-5-2-6(7)8-3-4(5)9-10-11/h2-3H,1H3
InChIKeyVWZRLPCWCDVTTH-UHFFFAOYSA-N
XLogP1.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyltriazolo[4,5-c]pyridine?
The IUPAC name of 6-bromo-1-methyltriazolo[4,5-c]pyridine (CID 170626731) is 6-bromo-1-methyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 6-bromo-1-methyltriazolo[4,5-c]pyridine?
The canonical SMILES for 6-bromo-1-methyltriazolo[4,5-c]pyridine is Cn1nnc2cnc(Br)cc21.
What is the InChIKey of 6-bromo-1-methyltriazolo[4,5-c]pyridine?
The InChIKey is VWZRLPCWCDVTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c1-11-5-2-6(7)8-3-4(5)9-10-11/h2-3H,1H3.
What are the key properties of 6-bromo-1-methyltriazolo[4,5-c]pyridine?
6-bromo-1-methyltriazolo[4,5-c]pyridine has a molecular weight of 213.04 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 170626731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).