[4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

C11H13BrN6O2 — CID 80921780

IUPAC[4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C11H13BrN6O2/c1-6(2)19-10-15-9(18-13)16-11(17-10)20-8-3-7(12)4-14-5-8/h3-6H,13H2,1-2H3,(H,15,16,17,18)
InChIKeyFSSYILZUWVPNJT-UHFFFAOYSA-N
MW341.17 g/mol
LogP1.89
Rot. Bonds5

About [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

[4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80921780) has the molecular formula C11H13BrN6O2 and a molecular weight of 341.17 g/mol. Its IUPAC name is [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80921780
Molecular FormulaC11H13BrN6O2
Molecular Weight341.17 g/mol
Exact Mass340.03
IUPAC Name[4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C11H13BrN6O2/c1-6(2)19-10-15-9(18-13)16-11(17-10)20-8-3-7(12)4-14-5-8/h3-6H,13H2,1-2H3,(H,15,16,17,18)
InChIKeyFSSYILZUWVPNJT-UHFFFAOYSA-N
XLogP1.89
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.17
LogP ≤ 51.89
H-Bond Donors ≤ 52
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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Related Compounds

[4-(4-bromo-3-fluorophenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80925336
[4-(1-ethylpyrazol-4-yl)oxy-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 116806768
3-bromo-5-propan-2-yloxypyridine;5-propan-2-yloxypyridin-3-amine
CID 158462322
4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80876915
2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124618
[(5-bromo-3-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105251286
[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 83145198
[4-(3,5-dimethoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909705
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133
4-(2,4-dibromophenoxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80871301
[4-(2,2-difluoroethoxy)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 82010438
methyl (2S)-2-[(5-bromo-3-pyridinyl)oxy]propanoate
CID 103338044

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (CID 80921780) is [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is CC(C)Oc1nc(NN)nc(Oc2cncc(Br)c2)n1.
What is the InChIKey of [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is FSSYILZUWVPNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O2/c1-6(2)19-10-15-9(18-13)16-11(17-10)20-8-3-7(12)4-14-5-8/h3-6H,13H2,1-2H3,(H,15,16,17,18).
What are the key properties of [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
[4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 341.17 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-3-pyridinyl)oxy]-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80921780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).