[4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

C12H20N6O — CID 80904737

IUPAC[4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C12H20N6O/c1-7(2)19-12-15-10(17-13)14-11(16-12)18-6-8-3-4-9(18)5-8/h7-9H,3-6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyXRWCBZVUJUVIPN-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.93
Rot. Bonds4

About [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine

[4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80904737) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
PubChem CID80904737
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name[4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
SMILESCC(C)Oc1nc(NN)nc(N2CC3CCC2C3)n1
InChIInChI=1S/C12H20N6O/c1-7(2)19-12-15-10(17-13)14-11(16-12)18-6-8-3-4-9(18)5-8/h7-9H,3-6,13H2,1-2H3,(H,14,15,16,17)
InChIKeyXRWCBZVUJUVIPN-UHFFFAOYSA-N
XLogP0.93
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4,4-dimethylpiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80919495
[4-(2,6-dimethylmorpholin-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80928474
(4-piperazin-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80917805
N-(2,6-dimethylpiperidin-1-yl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 83034442
N-tert-butyl-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80920133
[4-(benzimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80901290
2-[4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80898063
4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1-methylpiperazin-2-one
CID 80915244
3-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]cyclobutan-1-ol
CID 80921926
[4-(4-methylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80901681
4-hydrazinyl-N-(2-methylcycloheptyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80925544
(4-tert-butylsulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80925733

Frequently Asked Questions

What is the IUPAC name of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine (CID 80904737) is [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is CC(C)Oc1nc(NN)nc(N2CC3CCC2C3)n1.
What is the InChIKey of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is XRWCBZVUJUVIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-7(2)19-12-15-10(17-13)14-11(16-12)18-6-8-3-4-9(18)5-8/h7-9H,3-6,13H2,1-2H3,(H,14,15,16,17).
What are the key properties of [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine?
[4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 264.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-azabicyclo[2.2.1]heptan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80904737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).