N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

C11H11Cl2FN6O — CID 107581051

IUPACN-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2cc(Cl)c(F)c(Cl)c2)n1
InChIInChI=1S/C11H11Cl2FN6O/c1-2-21-11-18-9(17-10(19-11)20-15)16-5-3-6(12)8(14)7(13)4-5/h3-4H,2,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyBUMNVJDWQLYISB-UHFFFAOYSA-N
MW333.15 g/mol
LogP2.75
Rot. Bonds5

About N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine

N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (PubChem CID 107581051) has the molecular formula C11H11Cl2FN6O and a molecular weight of 333.15 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
PubChem CID107581051
Molecular FormulaC11H11Cl2FN6O
Molecular Weight333.15 g/mol
Exact Mass332.04
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
SMILESCCOc1nc(NN)nc(Nc2cc(Cl)c(F)c(Cl)c2)n1
InChIInChI=1S/C11H11Cl2FN6O/c1-2-21-11-18-9(17-10(19-11)20-15)16-5-3-6(12)8(14)7(13)4-5/h3-4H,2,15H2,1H3,(H2,16,17,18,19,20)
InChIKeyBUMNVJDWQLYISB-UHFFFAOYSA-N
XLogP2.75
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 52.75
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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Related Compounds

N-(3,5-Dichloro-phenyl)-6-methoxy-N,N',N'-trimethyl-[1,3,5]triazine-2,4-diamine
CID 766783
(4-Chloro-phenyl)-(4,6-diethoxy-[1,3,5]triazin-2-yl)-amine
CID 810981
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 129285968
2-N-(3-chloro-4-fluorophenyl)-4-N-propyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58040092
(3-Chloro-4-fluoro-phenyl)-(4,6-dichloro-[1,3,5]triazin-2-yl)-amine
CID 62859591
2-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 68076411
6-chloro-2-N-(3-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80754951
6-chloro-2-N-(3-chloro-4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80755145
6-chloro-2-N-(5-chloro-2-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 80780585
(3,5-Dichloro-4-fluoro-phenyl)-(5-morpholin-4-yl-1H-[1,2,4]triazol-3-yl)-amine
CID 86295424
4-N-(3-chlorophenyl)-2-N-ethyl-2-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 167134876
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(2,3,3-trifluoro-2-methylpropoxy)-1,3,5-triazine-2,4-diamine
CID 170394610

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine (CID 107581051) is N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is CCOc1nc(NN)nc(Nc2cc(Cl)c(F)c(Cl)c2)n1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
The InChIKey is BUMNVJDWQLYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2FN6O/c1-2-21-11-18-9(17-10(19-11)20-15)16-5-3-6(12)8(14)7(13)4-5/h3-4H,2,15H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine?
N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine has a molecular weight of 333.15 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 107581051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).