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

C11H14FN7 — CID 80928492

IUPAC2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C11H14FN7/c1-19(2)11-16-9(15-10(17-11)18-13)14-8-5-3-4-7(12)6-8/h3-6H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyYZZXDVMCHJKUIZ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.11
Rot. Bonds4

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

2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80928492) has the molecular formula C11H14FN7 and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80928492
Molecular FormulaC11H14FN7
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NN)nc(Nc2cccc(F)c2)n1
InChIInChI=1S/C11H14FN7/c1-19(2)11-16-9(15-10(17-11)18-13)14-8-5-3-4-7(12)6-8/h3-6H,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyYZZXDVMCHJKUIZ-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'}

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

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Related Compounds

2-N-(3-chloro-5-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107371206
5-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-fluorobenzonitrile
CID 80902716
2-N-(2-fluoro-4-methylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80916377
2-N,2-N-dimethyl-4-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80768872
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(4-propylphenyl)-1,3,5-triazine-2,4-diamine
CID 80887308
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]phenol
CID 90254949
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
2-N-(2-bromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80927563
2-N-(4-bromo-2,5-difluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107608454
4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80851450
2-N-(2,5-dibromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80897605
4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80736602

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80928492) is 2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(NN)nc(Nc2cccc(F)c2)n1.
What is the InChIKey of 2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YZZXDVMCHJKUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN7/c1-19(2)11-16-9(15-10(17-11)18-13)14-8-5-3-4-7(12)6-8/h3-6H,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-(3-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-(3-fluorophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80928492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).