methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate

C14H18N4O2 — CID 31535517

IUPACmethyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc(C)c(C)c2C#N)CC1
InChIInChI=1S/C14H18N4O2/c1-9-10(2)16-17-13(12(9)8-15)18-6-4-11(5-7-18)14(19)20-3/h11H,4-7H2,1-3H3
InChIKeyUUKZMYGZDQWPDL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.35
Rot. Bonds2

About methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate

methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate (PubChem CID 31535517) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate
PubChem CID31535517
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nnc(C)c(C)c2C#N)CC1
InChIInChI=1S/C14H18N4O2/c1-9-10(2)16-17-13(12(9)8-15)18-6-4-11(5-7-18)14(19)20-3/h11H,4-7H2,1-3H3
InChIKeyUUKZMYGZDQWPDL-UHFFFAOYSA-N
XLogP1.35
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate (CID 31535517) is methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate is COC(=O)C1CCN(c2nnc(C)c(C)c2C#N)CC1.
What is the InChIKey of methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate?
The InChIKey is UUKZMYGZDQWPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-10(2)16-17-13(12(9)8-15)18-6-4-11(5-7-18)14(19)20-3/h11H,4-7H2,1-3H3.
What are the key properties of methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate?
methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidine-4-carboxylate is sourced from PubChem (CID 31535517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).