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

C11H12BrCl2N7 — CID 107795423

IUPAC2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C11H12BrCl2N7/c1-21(2)11-18-9(17-10(19-11)20-15)16-6-4-3-5(12)7(13)8(6)14/h3-4H,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyRGYMMUONBJNQPI-UHFFFAOYSA-N
MW393.08 g/mol
LogP3.04
Rot. Bonds4

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

2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 107795423) has the molecular formula C11H12BrCl2N7 and a molecular weight of 393.08 g/mol. Its IUPAC name is 2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID107795423
Molecular FormulaC11H12BrCl2N7
Molecular Weight393.08 g/mol
Exact Mass390.97
IUPAC Name2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2ccc(Br)c(Cl)c2Cl)n1
InChIInChI=1S/C11H12BrCl2N7/c1-21(2)11-18-9(17-10(19-11)20-15)16-6-4-3-5(12)7(13)8(6)14/h3-4H,15H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyRGYMMUONBJNQPI-UHFFFAOYSA-N
XLogP3.04
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 107795423) is 2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(NN)nc(Nc2ccc(Br)c(Cl)c2Cl)n1.
What is the InChIKey of 2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RGYMMUONBJNQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrCl2N7/c1-21(2)11-18-9(17-10(19-11)20-15)16-6-4-3-5(12)7(13)8(6)14/h3-4H,15H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 393.08 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2,3-dichlorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107795423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).