3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one

C14H17N5O2 — CID 110103938

IUPAC3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cnc(C2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH]1
InChIInChI=1S/C14H17N5O2/c1-9-7-15-13(16-9)10-3-2-6-19(8-10)14(21)11-4-5-12(20)18-17-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)(H,18,20)
InChIKeyHYRDWCCLVCPREI-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.82
Rot. Bonds2

About 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110103938) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110103938
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1cnc(C2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH]1
InChIInChI=1S/C14H17N5O2/c1-9-7-15-13(16-9)10-3-2-6-19(8-10)14(21)11-4-5-12(20)18-17-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)(H,18,20)
InChIKeyHYRDWCCLVCPREI-UHFFFAOYSA-N
XLogP0.82
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 110103938) is 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one is Cc1cnc(C2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)[nH]1.
What is the InChIKey of 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is HYRDWCCLVCPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-7-15-13(16-9)10-3-2-6-19(8-10)14(21)11-4-5-12(20)18-17-11/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)(H,18,20).
What are the key properties of 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 287.32 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110103938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).