3-bromo-5-propan-2-yl-1,2,4-triazine

C6H8BrN3 — CID 105454049

IUPAC3-bromo-5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cnnc(Br)n1
InChIInChI=1S/C6H8BrN3/c1-4(2)5-3-8-10-6(7)9-5/h3-4H,1-2H3
InChIKeySGPOLQCYDWSIHN-UHFFFAOYSA-N
MW202.06 g/mol
LogP1.76
Rot. Bonds1

About 3-bromo-5-propan-2-yl-1,2,4-triazine

3-bromo-5-propan-2-yl-1,2,4-triazine (PubChem CID 105454049) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is 3-bromo-5-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-bromo-5-propan-2-yl-1,2,4-triazine
PubChem CID105454049
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name3-bromo-5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cnnc(Br)n1
InChIInChI=1S/C6H8BrN3/c1-4(2)5-3-8-10-6(7)9-5/h3-4H,1-2H3
InChIKeySGPOLQCYDWSIHN-UHFFFAOYSA-N
XLogP1.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-5-propan-2-yl-1,2,4-triazine
CID 170117285
3-bromo-2-methyl-5-propan-2-ylpyrazine
CID 118329292
ethane;5-methyl-3-propan-2-ylpyridazine
CID 144528094
2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid
CID 105462882
3-bromo-2-fluoro-6-propan-2-ylpyridine
CID 130138752
2,3-difluoro-5-propan-2-ylpyrazine
CID 163298620
3,5-di(propan-2-yl)pyridazine
CID 21037378
7-bromo-4-propan-2-ylpyrazino[2,3-c]pyridazine
CID 129075529
5-chloro-3-propan-2-ylpyridazine
CID 117106924
2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine
CID 161386893
2,3,5-tri(propan-2-yl)pyrazine
CID 58164581
5-methoxy-3-propan-2-ylpyridazine
CID 122547241

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propan-2-yl-1,2,4-triazine?
The IUPAC name of 3-bromo-5-propan-2-yl-1,2,4-triazine (CID 105454049) is 3-bromo-5-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-bromo-5-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 3-bromo-5-propan-2-yl-1,2,4-triazine is CC(C)c1cnnc(Br)n1.
What is the InChIKey of 3-bromo-5-propan-2-yl-1,2,4-triazine?
The InChIKey is SGPOLQCYDWSIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c1-4(2)5-3-8-10-6(7)9-5/h3-4H,1-2H3.
What are the key properties of 3-bromo-5-propan-2-yl-1,2,4-triazine?
3-bromo-5-propan-2-yl-1,2,4-triazine has a molecular weight of 202.06 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 105454049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).