azane;6-bromo-5-phenyl-1,2,4-triazine

C9H9BrN4 — CID 121267652

IUPACazane;6-bromo-5-phenyl-1,2,4-triazine
SMILESBrc1nncnc1-c1ccccc1.N
InChIInChI=1S/C9H6BrN3.H3N/c10-9-8(11-6-12-13-9)7-4-2-1-3-5-7;/h1-6H;1H3
InChIKeyIRVGRCUWALUXMS-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.46
Rot. Bonds1

About azane;6-bromo-5-phenyl-1,2,4-triazine

azane;6-bromo-5-phenyl-1,2,4-triazine (PubChem CID 121267652) has the molecular formula C9H9BrN4 and a molecular weight of 253.10 g/mol. Its IUPAC name is azane;6-bromo-5-phenyl-1,2,4-triazine.

Molecular Properties

Compound Nameazane;6-bromo-5-phenyl-1,2,4-triazine
PubChem CID121267652
Molecular FormulaC9H9BrN4
Molecular Weight253.10 g/mol
Exact Mass252.00
IUPAC Nameazane;6-bromo-5-phenyl-1,2,4-triazine
SMILESBrc1nncnc1-c1ccccc1.N
InChIInChI=1S/C9H6BrN3.H3N/c10-9-8(11-6-12-13-9)7-4-2-1-3-5-7;/h1-6H;1H3
InChIKeyIRVGRCUWALUXMS-UHFFFAOYSA-N
XLogP2.46
TPSA73.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Phenyl-1,2,4-triazin-3-amine
CID 97081
6-Phenyl-1,2,4-triazin-3-amine
CID 120468
5-(4-Bromophenyl)-1,2,4-triazin-3-amine
CID 7176091
5-(4-Bromophenyl)-3-(pyrrolidin-1-YL)-1,2,4-triazine
CID 661908
5,6-Diphenyl-1,2,4-triazine
CID 252499
as-Triazine, 5-(p-bromophenyl)-3-methoxy-
CID 3053043
N,N-diethyl-6-phenyl-1,2,4-triazin-5-amine
CID 6401387
5-Methyl-4-oxido-6-phenyl-1,2,4-triazin-4-ium
CID 12253975
6-(4-Fluorophenyl)-1,2,4-triazine-5-carbonitrile
CID 6405068
5-Methyl-6-phenyl-1,2,4-triazine
CID 12253992
3,4,6-Triazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 12450652
6-(4-Bromo-3-fluorophenyl)-1,2,4-triazin-3-amine
CID 57516523

Frequently Asked Questions

What is the IUPAC name of azane;6-bromo-5-phenyl-1,2,4-triazine?
The IUPAC name of azane;6-bromo-5-phenyl-1,2,4-triazine (CID 121267652) is azane;6-bromo-5-phenyl-1,2,4-triazine.
What is the SMILES notation for azane;6-bromo-5-phenyl-1,2,4-triazine?
The canonical SMILES for azane;6-bromo-5-phenyl-1,2,4-triazine is Brc1nncnc1-c1ccccc1.N.
What is the InChIKey of azane;6-bromo-5-phenyl-1,2,4-triazine?
The InChIKey is IRVGRCUWALUXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3.H3N/c10-9-8(11-6-12-13-9)7-4-2-1-3-5-7;/h1-6H;1H3.
What are the key properties of azane;6-bromo-5-phenyl-1,2,4-triazine?
azane;6-bromo-5-phenyl-1,2,4-triazine has a molecular weight of 253.10 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-bromo-5-phenyl-1,2,4-triazine is sourced from PubChem (CID 121267652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).