6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione

C9H7BrN4O2 — CID 67159541

IUPAC6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)c(Br)nn(-c2cccnc2)c1=O
InChIInChI=1S/C9H7BrN4O2/c1-13-8(15)7(10)12-14(9(13)16)6-3-2-4-11-5-6/h2-5H,1H3
InChIKeyMYSSDSQFQUAPPI-UHFFFAOYSA-N
MW283.08 g/mol
LogP0.09
Rot. Bonds1

About 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione

6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione (PubChem CID 67159541) has the molecular formula C9H7BrN4O2 and a molecular weight of 283.08 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione
PubChem CID67159541
Molecular FormulaC9H7BrN4O2
Molecular Weight283.08 g/mol
Exact Mass281.98
IUPAC Name6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)c(Br)nn(-c2cccnc2)c1=O
InChIInChI=1S/C9H7BrN4O2/c1-13-8(15)7(10)12-14(9(13)16)6-3-2-4-11-5-6/h2-5H,1H3
InChIKeyMYSSDSQFQUAPPI-UHFFFAOYSA-N
XLogP0.09
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione (CID 67159541) is 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione is Cn1c(=O)c(Br)nn(-c2cccnc2)c1=O.
What is the InChIKey of 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione?
The InChIKey is MYSSDSQFQUAPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O2/c1-13-8(15)7(10)12-14(9(13)16)6-3-2-4-11-5-6/h2-5H,1H3.
What are the key properties of 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione?
6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione has a molecular weight of 283.08 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-pyridin-3-yl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 67159541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).