2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C11H14BrN7 — CID 80927563

IUPAC2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C11H14BrN7/c1-19(2)11-16-9(15-10(17-11)18-13)14-8-6-4-3-5-7(8)12/h3-6H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUUYCGAQOSULULD-UHFFFAOYSA-N
MW324.19 g/mol
LogP1.73
Rot. Bonds4

About 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80927563) has the molecular formula C11H14BrN7 and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80927563
Molecular FormulaC11H14BrN7
Molecular Weight324.19 g/mol
Exact Mass323.05
IUPAC Name2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2ccccc2Br)n1
InChIInChI=1S/C11H14BrN7/c1-19(2)11-16-9(15-10(17-11)18-13)14-8-6-4-3-5-7(8)12/h3-6H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyUUYCGAQOSULULD-UHFFFAOYSA-N
XLogP1.73
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(2,5-dibromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80897605
2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107795423
2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107608454
2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 81287998
4-[(2-bromophenyl)methoxy]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 82825396
2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80916377
6-hydrazinyl-2-N,4-N,4-N-trimethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80927617
2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80928492
4-[(3-bromo-2-pyridinyl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80929799
4-hydrazinyl-N,N-dimethyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925510
N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
CID 80927953
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(4-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80887308

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80927563) is 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(NN)nc(Nc2ccccc2Br)n1.
What is the InChIKey of 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UUYCGAQOSULULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN7/c1-19(2)11-16-9(15-10(17-11)18-13)14-8-6-4-3-5-7(8)12/h3-6H,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 324.19 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80927563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).