3-bromo-1,2,4-triazine

C3H2BrN3 — CID 105431380

IUPAC3-bromo-1,2,4-triazine
SMILESBrc1nccnn1
InChIInChI=1S/C3H2BrN3/c4-3-5-1-2-6-7-3/h1-2H
InChIKeyTYVQKSLLHVVNTQ-UHFFFAOYSA-N
MW159.97 g/mol
LogP0.63
Rot. Bonds

About 3-bromo-1,2,4-triazine

3-bromo-1,2,4-triazine (PubChem CID 105431380) has the molecular formula C3H2BrN3 and a molecular weight of 159.97 g/mol. Its IUPAC name is 3-bromo-1,2,4-triazine.

Molecular Properties

Compound Name3-bromo-1,2,4-triazine
PubChem CID105431380
Molecular FormulaC3H2BrN3
Molecular Weight159.97 g/mol
Exact Mass158.94
IUPAC Name3-bromo-1,2,4-triazine
SMILESBrc1nccnn1
InChIInChI=1S/C3H2BrN3/c4-3-5-1-2-6-7-3/h1-2H
InChIKeyTYVQKSLLHVVNTQ-UHFFFAOYSA-N
XLogP0.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.97
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,2,4-triazine?
The IUPAC name of 3-bromo-1,2,4-triazine (CID 105431380) is 3-bromo-1,2,4-triazine.
What is the SMILES notation for 3-bromo-1,2,4-triazine?
The canonical SMILES for 3-bromo-1,2,4-triazine is Brc1nccnn1.
What is the InChIKey of 3-bromo-1,2,4-triazine?
The InChIKey is TYVQKSLLHVVNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrN3/c4-3-5-1-2-6-7-3/h1-2H.
What are the key properties of 3-bromo-1,2,4-triazine?
3-bromo-1,2,4-triazine has a molecular weight of 159.97 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,2,4-triazine is sourced from PubChem (CID 105431380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).