[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine

C16H21N5 — CID 118108204

IUPAC[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine
SMILESCc1c(N2CCC(c3ccccc3)CC2)cnnc1NN
InChIInChI=1S/C16H21N5/c1-12-15(11-18-20-16(12)19-17)21-9-7-14(8-10-21)13-5-3-2-4-6-13/h2-6,11,14H,7-10,17H2,1H3,(H,19,20)
InChIKeyQQENWOWEHHXQLL-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.45
Rot. Bonds3

About [4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine

[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine (PubChem CID 118108204) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is [4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine
PubChem CID118108204
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine
SMILESCc1c(N2CCC(c3ccccc3)CC2)cnnc1NN
InChIInChI=1S/C16H21N5/c1-12-15(11-18-20-16(12)19-17)21-9-7-14(8-10-21)13-5-3-2-4-6-13/h2-6,11,14H,7-10,17H2,1H3,(H,19,20)
InChIKeyQQENWOWEHHXQLL-UHFFFAOYSA-N
XLogP2.45
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine?
The IUPAC name of [4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine (CID 118108204) is [4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine.
What is the SMILES notation for [4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine?
The canonical SMILES for [4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine is Cc1c(N2CCC(c3ccccc3)CC2)cnnc1NN.
What is the InChIKey of [4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine?
The InChIKey is QQENWOWEHHXQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-12-15(11-18-20-16(12)19-17)21-9-7-14(8-10-21)13-5-3-2-4-6-13/h2-6,11,14H,7-10,17H2,1H3,(H,19,20).
What are the key properties of [4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine?
[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine has a molecular weight of 283.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine is sourced from PubChem (CID 118108204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).