2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one

C16H19N5O3 — CID 72717293

IUPAC2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nn1
InChIInChI=1S/C16H19N5O3/c1-11-3-5-14(18-17-11)24-12-7-9-21(10-8-12)16(23)13-4-6-15(22)20(2)19-13/h3-6,12H,7-10H2,1-2H3
InChIKeyHHFZMYHGFWMJMJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.56
Rot. Bonds3

About 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one (PubChem CID 72717293) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one
PubChem CID72717293
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one
SMILESCc1ccc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nn1
InChIInChI=1S/C16H19N5O3/c1-11-3-5-14(18-17-11)24-12-7-9-21(10-8-12)16(23)13-4-6-15(22)20(2)19-13/h3-6,12H,7-10H2,1-2H3
InChIKeyHHFZMYHGFWMJMJ-UHFFFAOYSA-N
XLogP0.56
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one (CID 72717293) is 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one is Cc1ccc(OC2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nn1.
What is the InChIKey of 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is HHFZMYHGFWMJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-3-5-14(18-17-11)24-12-7-9-21(10-8-12)16(23)13-4-6-15(22)20(2)19-13/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 329.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(6-methylpyridazin-3-yl)oxypiperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 72717293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).