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

C11H13IN6O — CID 80916652

IUPAC4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C11H13IN6O/c1-18(2)10-14-9(17-13)15-11(16-10)19-8-5-3-7(12)4-6-8/h3-6H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyNCYHWHXMQQUOLS-UHFFFAOYSA-N
MW372.17 g/mol
LogP1.62
Rot. Bonds4

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

4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 80916652) has the molecular formula C11H13IN6O and a molecular weight of 372.17 g/mol. Its IUPAC name is 4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID80916652
Molecular FormulaC11H13IN6O
Molecular Weight372.17 g/mol
Exact Mass372.02
IUPAC Name4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(NN)nc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C11H13IN6O/c1-18(2)10-14-9(17-13)15-11(16-10)19-8-5-3-7(12)4-6-8/h3-6H,13H2,1-2H3,(H,14,15,16,17)
InChIKeyNCYHWHXMQQUOLS-UHFFFAOYSA-N
XLogP1.62
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 51.62
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-(4-ethylphenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915253
2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol
CID 107710379
4-(4-bromo-3-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80921724
4-(2-fluorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80915893
[4-(4-iodophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80910841
4-(2,3-dichlorophenoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916635
[4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80917593
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]benzonitrile
CID 80918439
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzohydrazide
CID 23820823
4-hydrazinyl-6-(4-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80931212
2-N,2-N,4-N-trimethyl-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazine-2,4-diamine
CID 80872059
2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869615

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 80916652) is 4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(NN)nc(Oc2ccc(I)cc2)n1.
What is the InChIKey of 4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is NCYHWHXMQQUOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN6O/c1-18(2)10-14-9(17-13)15-11(16-10)19-8-5-3-7(12)4-6-8/h3-6H,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 372.17 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80916652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).