N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine

C16H20N4 — CID 116973502

IUPACN-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine
SMILESCN(c1ccc(-c2ccccc2)nn1)C1CCCNC1
InChIInChI=1S/C16H20N4/c1-20(14-8-5-11-17-12-14)16-10-9-15(18-19-16)13-6-3-2-4-7-13/h2-4,6-7,9-10,14,17H,5,8,11-12H2,1H3
InChIKeyBLPTUROLBAGWPU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine

N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine (PubChem CID 116973502) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine
PubChem CID116973502
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine
SMILESCN(c1ccc(-c2ccccc2)nn1)C1CCCNC1
InChIInChI=1S/C16H20N4/c1-20(14-8-5-11-17-12-14)16-10-9-15(18-19-16)13-6-3-2-4-7-13/h2-4,6-7,9-10,14,17H,5,8,11-12H2,1H3
InChIKeyBLPTUROLBAGWPU-UHFFFAOYSA-N
XLogP2.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine?
The IUPAC name of N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine (CID 116973502) is N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine.
What is the SMILES notation for N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine?
The canonical SMILES for N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine is CN(c1ccc(-c2ccccc2)nn1)C1CCCNC1.
What is the InChIKey of N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine?
The InChIKey is BLPTUROLBAGWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-20(14-8-5-11-17-12-14)16-10-9-15(18-19-16)13-6-3-2-4-7-13/h2-4,6-7,9-10,14,17H,5,8,11-12H2,1H3.
What are the key properties of N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine?
N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine is sourced from PubChem (CID 116973502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).