[4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine

C13H22N6O2 — CID 80911618

IUPAC[4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(OC2CCOCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O2/c14-18-11-15-12(19-6-2-1-3-7-19)17-13(16-11)21-10-4-8-20-9-5-10/h10H,1-9,14H2,(H,15,16,17,18)
InChIKeyBZOVGXHAXHNCNC-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.71
Rot. Bonds4

About [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80911618) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80911618
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name[4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESNNc1nc(OC2CCOCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C13H22N6O2/c14-18-11-15-12(19-6-2-1-3-7-19)17-13(16-11)21-10-4-8-20-9-5-10/h10H,1-9,14H2,(H,15,16,17,18)
InChIKeyBZOVGXHAXHNCNC-UHFFFAOYSA-N
XLogP0.71
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.71
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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Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80911618) is [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine is NNc1nc(OC2CCOCC2)nc(N2CCCCC2)n1.
What is the InChIKey of [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is BZOVGXHAXHNCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c14-18-11-15-12(19-6-2-1-3-7-19)17-13(16-11)21-10-4-8-20-9-5-10/h10H,1-9,14H2,(H,15,16,17,18).
What are the key properties of [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 294.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80911618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).