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

C13H18BrN7 — CID 81287998

IUPAC2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1cc(Br)ccc1Nc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C13H18BrN7/c1-4-8-7-9(14)5-6-10(8)16-11-17-12(20-15)19-13(18-11)21(2)3/h5-7H,4,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyLUOIQYWFEOJTDI-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.29
Rot. Bonds5

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

2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 81287998) has the molecular formula C13H18BrN7 and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID81287998
Molecular FormulaC13H18BrN7
Molecular Weight352.24 g/mol
Exact Mass351.08
IUPAC Name2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCc1cc(Br)ccc1Nc1nc(NN)nc(N(C)C)n1
InChIInChI=1S/C13H18BrN7/c1-4-8-7-9(14)5-6-10(8)16-11-17-12(20-15)19-13(18-11)21(2)3/h5-7H,4,15H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyLUOIQYWFEOJTDI-UHFFFAOYSA-N
XLogP2.29
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 81287998) is 2-N-(4-bromo-2-ethylphenyl)-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-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CCc1cc(Br)ccc1Nc1nc(NN)nc(N(C)C)n1.
What is the InChIKey of 2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LUOIQYWFEOJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN7/c1-4-8-7-9(14)5-6-10(8)16-11-17-12(20-15)19-13(18-11)21(2)3/h5-7H,4,15H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 352.24 g/mol, XLogP of 2.29, 5 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-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 81287998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).