[4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

C11H17N9 — CID 80927607

IUPAC[4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC1CCN(c2nc(NN)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C11H17N9/c1-8-2-4-19(5-3-8)10-15-9(18-12)16-11(17-10)20-7-13-6-14-20/h6-8H,2-5,12H2,1H3,(H,15,16,17,18)
InChIKeyYAXNYPIMFJMLGS-UHFFFAOYSA-N
MW275.32 g/mol
LogP-0.03
Rot. Bonds3

About [4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine

[4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80927607) has the molecular formula C11H17N9 and a molecular weight of 275.32 g/mol. Its IUPAC name is [4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80927607
Molecular FormulaC11H17N9
Molecular Weight275.32 g/mol
Exact Mass275.16
IUPAC Name[4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC1CCN(c2nc(NN)nc(-n3cncn3)n2)CC1
InChIInChI=1S/C11H17N9/c1-8-2-4-19(5-3-8)10-15-9(18-12)16-11(17-10)20-7-13-6-14-20/h6-8H,2-5,12H2,1H3,(H,15,16,17,18)
InChIKeyYAXNYPIMFJMLGS-UHFFFAOYSA-N
XLogP-0.03
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 80927607) is [4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is CC1CCN(c2nc(NN)nc(-n3cncn3)n2)CC1.
What is the InChIKey of [4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is YAXNYPIMFJMLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9/c1-8-2-4-19(5-3-8)10-15-9(18-12)16-11(17-10)20-7-13-6-14-20/h6-8H,2-5,12H2,1H3,(H,15,16,17,18).
What are the key properties of [4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 275.32 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80927607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).