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

C11H14FN7 — CID 785754

IUPAC2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H14FN7/c1-19(2)11-16-9(15-10(17-11)18-13)14-8-5-3-7(12)4-6-8/h3-6H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBUNQSOFZXWJGTL-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.11
Rot. Bonds4

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

2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 785754) has the molecular formula C11H14FN7 and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID785754
Molecular FormulaC11H14FN7
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C11H14FN7/c1-19(2)11-16-9(15-10(17-11)18-13)14-8-5-3-7(12)4-6-8/h3-6H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyBUNQSOFZXWJGTL-UHFFFAOYSA-N
XLogP1.11
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.11
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

Amanozine
CID 10832
N-tert-Butyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 744423
2-N-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2737693
4,6-dimethoxy-N-phenyl-1,3,5-triazin-2-amine
CID 35020
6-chloro-N-isopropyl-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 790766
6-chloro-4-N-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 840843
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858
N-methyl-N'-phenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2266465
4,6-dichloro-N-phenyl-1,3,5-triazin-2-amine
CID 16766
(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 784146
(4,6-Diethoxy-[1,3,5]triazin-2-yl)-(2-fluoro-phenyl)-amine
CID 1158964
N2-(2,6-difluorophenyl)-1,3,5-triazine-2,4-diamine
CID 2730207

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 785754) is 2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(NN)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BUNQSOFZXWJGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN7/c1-19(2)11-16-9(15-10(17-11)18-13)14-8-5-3-7(12)4-6-8/h3-6H,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 263.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 785754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).