6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine

C10H10BrN3 — CID 118454414

IUPAC6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine
SMILESCC1=NCC(c2ccc(Br)cc2)=NN1
InChIInChI=1S/C10H10BrN3/c1-7-12-6-10(14-13-7)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyZFFZDMAEZKNGCB-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.17
Rot. Bonds1

About 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine

6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine (PubChem CID 118454414) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine.

Molecular Properties

Compound Name6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine
PubChem CID118454414
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine
SMILESCC1=NCC(c2ccc(Br)cc2)=NN1
InChIInChI=1S/C10H10BrN3/c1-7-12-6-10(14-13-7)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,13)
InChIKeyZFFZDMAEZKNGCB-UHFFFAOYSA-N
XLogP2.17
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine?
The IUPAC name of 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine (CID 118454414) is 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine.
What is the SMILES notation for 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine?
The canonical SMILES for 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine is CC1=NCC(c2ccc(Br)cc2)=NN1.
What is the InChIKey of 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine?
The InChIKey is ZFFZDMAEZKNGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-12-6-10(14-13-7)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine?
6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine has a molecular weight of 252.12 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-3-methyl-2,5-dihydro-1,2,4-triazine is sourced from PubChem (CID 118454414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).