4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one

C15H21ClN4O — CID 133344421

IUPAC4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(C3CC4CCC3C4)CC2)c1Cl
InChIInChI=1S/C15H21ClN4O/c16-14-13(9-17-18-15(14)21)20-5-3-19(4-6-20)12-8-10-1-2-11(12)7-10/h9-12H,1-8H2,(H,18,21)
InChIKeyHCGWHNXMEXJNNY-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.73
Rot. Bonds2

About 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one

4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one (PubChem CID 133344421) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one
PubChem CID133344421
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(C3CC4CCC3C4)CC2)c1Cl
InChIInChI=1S/C15H21ClN4O/c16-14-13(9-17-18-15(14)21)20-5-3-19(4-6-20)12-8-10-1-2-11(12)7-10/h9-12H,1-8H2,(H,18,21)
InChIKeyHCGWHNXMEXJNNY-UHFFFAOYSA-N
XLogP1.73
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one (CID 133344421) is 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(C3CC4CCC3C4)CC2)c1Cl.
What is the InChIKey of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one?
The InChIKey is HCGWHNXMEXJNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c16-14-13(9-17-18-15(14)21)20-5-3-19(4-6-20)12-8-10-1-2-11(12)7-10/h9-12H,1-8H2,(H,18,21).
What are the key properties of 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one?
4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one has a molecular weight of 308.81 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 133344421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).