N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine

C13H17IN6O — CID 80913258

IUPACN,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(Oc2ccccc2I)n1
InChIInChI=1S/C13H17IN6O/c1-3-20(4-2)12-16-11(19-15)17-13(18-12)21-10-8-6-5-7-9(10)14/h5-8H,3-4,15H2,1-2H3,(H,16,17,18,19)
InChIKeyDJPCFWSBHDPSLO-UHFFFAOYSA-N
MW400.22 g/mol
LogP2.40
Rot. Bonds6

About N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine

N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine (PubChem CID 80913258) has the molecular formula C13H17IN6O and a molecular weight of 400.22 g/mol. Its IUPAC name is N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine
PubChem CID80913258
Molecular FormulaC13H17IN6O
Molecular Weight400.22 g/mol
Exact Mass400.05
IUPAC NameN,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(NN)nc(Oc2ccccc2I)n1
InChIInChI=1S/C13H17IN6O/c1-3-20(4-2)12-16-11(19-15)17-13(18-12)21-10-8-6-5-7-9(10)14/h5-8H,3-4,15H2,1-2H3,(H,16,17,18,19)
InChIKeyDJPCFWSBHDPSLO-UHFFFAOYSA-N
XLogP2.40
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915893
N,N-diethyl-4-hydrazinyl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80922713
4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80917408
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile
CID 80918439
4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 12846659
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
N,N-diethyl-4-hydrazinyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80910058
N-ethyl-4-(2-iodophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80874891
4-(2,3-dichlorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916635
2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866080
4-cycloheptyloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80913301
4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916652

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine (CID 80913258) is N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine is CCN(CC)c1nc(NN)nc(Oc2ccccc2I)n1.
What is the InChIKey of N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is DJPCFWSBHDPSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN6O/c1-3-20(4-2)12-16-11(19-15)17-13(18-12)21-10-8-6-5-7-9(10)14/h5-8H,3-4,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine?
N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine has a molecular weight of 400.22 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hydrazinyl-6-(2-iodophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80913258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).