2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol

C13H18N6O2 — CID 107710379

IUPAC2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol
SMILESCN(C)c1nc(NN)nc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H18N6O2/c1-19(2)12-15-11(18-14)16-13(17-12)21-10-5-3-9(4-6-10)7-8-20/h3-6,20H,7-8,14H2,1-2H3,(H,15,16,17,18)
InChIKeyGMZOVXUGTPUBQN-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.55
Rot. Bonds6

About 2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol

2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol (PubChem CID 107710379) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol
PubChem CID107710379
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol
SMILESCN(C)c1nc(NN)nc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C13H18N6O2/c1-19(2)12-15-11(18-14)16-13(17-12)21-10-5-3-9(4-6-10)7-8-20/h3-6,20H,7-8,14H2,1-2H3,(H,15,16,17,18)
InChIKeyGMZOVXUGTPUBQN-UHFFFAOYSA-N
XLogP0.55
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol?
The IUPAC name of 2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol (CID 107710379) is 2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol is CN(C)c1nc(NN)nc(Oc2ccc(CCO)cc2)n1.
What is the InChIKey of 2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol?
The InChIKey is GMZOVXUGTPUBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-19(2)12-15-11(18-14)16-13(17-12)21-10-5-3-9(4-6-10)7-8-20/h3-6,20H,7-8,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol?
2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol has a molecular weight of 290.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]oxy]phenyl]ethanol is sourced from PubChem (CID 107710379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).