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

C12H19N9 — CID 80906400

IUPAC[4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC1(C)CCCN(c2nc(NN)nc(-n3cncn3)n2)C1
InChIInChI=1S/C12H19N9/c1-12(2)4-3-5-20(6-12)10-16-9(19-13)17-11(18-10)21-8-14-7-15-21/h7-8H,3-6,13H2,1-2H3,(H,16,17,18,19)
InChIKeyKWSBLIUPQYKUKS-UHFFFAOYSA-N
MW289.35 g/mol
LogP0.36
Rot. Bonds3

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

[4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80906400) has the molecular formula C12H19N9 and a molecular weight of 289.35 g/mol. Its IUPAC name is [4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80906400
Molecular FormulaC12H19N9
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name[4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
SMILESCC1(C)CCCN(c2nc(NN)nc(-n3cncn3)n2)C1
InChIInChI=1S/C12H19N9/c1-12(2)4-3-5-20(6-12)10-16-9(19-13)17-11(18-10)21-8-14-7-15-21/h7-8H,3-6,13H2,1-2H3,(H,16,17,18,19)
InChIKeyKWSBLIUPQYKUKS-UHFFFAOYSA-N
XLogP0.36
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 50.36
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-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine (CID 80906400) is [4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is CC1(C)CCCN(c2nc(NN)nc(-n3cncn3)n2)C1.
What is the InChIKey of [4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is KWSBLIUPQYKUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N9/c1-12(2)4-3-5-20(6-12)10-16-9(19-13)17-11(18-10)21-8-14-7-15-21/h7-8H,3-6,13H2,1-2H3,(H,16,17,18,19).
What are the key properties of [4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine?
[4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 289.35 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80906400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).