N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

C12H14BrClN6O — CID 107617973

IUPACN-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C12H14BrClN6O/c1-2-5-21-12-18-10(17-11(19-12)20-15)16-7-3-4-8(13)9(14)6-7/h3-4,6H,2,5,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyKLQYCLKIYAGGSC-UHFFFAOYSA-N
MW373.64 g/mol
LogP3.11
Rot. Bonds6

About N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine

N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 107617973) has the molecular formula C12H14BrClN6O and a molecular weight of 373.64 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID107617973
Molecular FormulaC12H14BrClN6O
Molecular Weight373.64 g/mol
Exact Mass372.01
IUPAC NameN-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C12H14BrClN6O/c1-2-5-21-12-18-10(17-11(19-12)20-15)16-7-3-4-8(13)9(14)6-7/h3-4,6H,2,5,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyKLQYCLKIYAGGSC-UHFFFAOYSA-N
XLogP3.11
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 53.11
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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Related Compounds

2-N-(4-bromo-3-chlorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107617887
N-(2-bromo-4-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80912510
N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 104780303
3-[(4-hydrazinyl-6-propoxy-1,3,5-triazin-2-yl)amino]benzonitrile
CID 80911513
N-(4-bromo-2-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80913147
2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107617918
4-N-(4-bromo-3-chlorophenyl)-6-propoxypyrimidine-4,5-diamine
CID 107618600
N-(2-bromo-5-chloro-4-methylphenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 104725633
2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80736601
N-(5-fluoro-2-methylphenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911666
2-N-(4-bromo-2,3-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 107794817
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine (CID 107617973) is N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(Nc2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is KLQYCLKIYAGGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN6O/c1-2-5-21-12-18-10(17-11(19-12)20-15)16-7-3-4-8(13)9(14)6-7/h3-4,6H,2,5,15H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine?
N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 373.64 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107617973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).