4-bromotriazine

C3H2BrN3 — CID 19819998

IUPAC4-bromotriazine
SMILESBrc1ccnnn1
InChIInChI=1S/C3H2BrN3/c4-3-1-2-5-7-6-3/h1-2H
InChIKeyCTMFECUQKLSOGJ-UHFFFAOYSA-N
MW159.97 g/mol
LogP0.63
Rot. Bonds

About 4-bromotriazine

4-bromotriazine (PubChem CID 19819998) has the molecular formula C3H2BrN3 and a molecular weight of 159.97 g/mol. Its IUPAC name is 4-bromotriazine.

Molecular Properties

Compound Name4-bromotriazine
PubChem CID19819998
Molecular FormulaC3H2BrN3
Molecular Weight159.97 g/mol
Exact Mass158.94
IUPAC Name4-bromotriazine
SMILESBrc1ccnnn1
InChIInChI=1S/C3H2BrN3/c4-3-1-2-5-7-6-3/h1-2H
InChIKeyCTMFECUQKLSOGJ-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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Related Compounds

1,2,3-Triazine
CID 123047
Bromodiazaborine
CID 133064054
4,5-Dibromotriazine
CID 13905238
Triazine;hydrobromide
CID 19089987
CID 66769294
CID 66769294
CID 67430872
CID 67430872
CID 69026988
CID 69026988
Iron;triazine
CID 70442701
CID 87288339
CID 87288339
Silver;triazine
CID 87789163
Molecular nitrogen;triazine
CID 141441145
Triazin-4-ylstannane
CID 154271675

Frequently Asked Questions

What is the IUPAC name of 4-bromotriazine?
The IUPAC name of 4-bromotriazine (CID 19819998) is 4-bromotriazine.
What is the SMILES notation for 4-bromotriazine?
The canonical SMILES for 4-bromotriazine is Brc1ccnnn1.
What is the InChIKey of 4-bromotriazine?
The InChIKey is CTMFECUQKLSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrN3/c4-3-1-2-5-7-6-3/h1-2H.
What are the key properties of 4-bromotriazine?
4-bromotriazine 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 4-bromotriazine is sourced from PubChem (CID 19819998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).