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

C11H13ClFN7 — CID 107371206

IUPAC2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C11H13ClFN7/c1-20(2)11-17-9(16-10(18-11)19-14)15-8-4-6(12)3-7(13)5-8/h3-5H,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyIPXUTSMEXUYRKA-UHFFFAOYSA-N
MW297.73 g/mol
LogP1.76
Rot. Bonds4

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

2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 107371206) has the molecular formula C11H13ClFN7 and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID107371206
Molecular FormulaC11H13ClFN7
Molecular Weight297.73 g/mol
Exact Mass297.09
IUPAC Name2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C11H13ClFN7/c1-20(2)11-17-9(16-10(18-11)19-14)15-8-4-6(12)3-7(13)5-8/h3-5H,14H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyIPXUTSMEXUYRKA-UHFFFAOYSA-N
XLogP1.76
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 51.76
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-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 107371206) is 2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(NN)nc(Nc2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IPXUTSMEXUYRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN7/c1-20(2)11-17-9(16-10(18-11)19-14)15-8-4-6(12)3-7(13)5-8/h3-5H,14H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 297.73 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107371206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).