5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one

C19H23ClN4O — CID 142546828

IUPAC5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(C[C@@H]3CCCc4ccccc43)CC2)c1Cl
InChIInChI=1S/C19H23ClN4O/c20-18-17(12-21-22-19(18)25)24-10-8-23(9-11-24)13-15-6-3-5-14-4-1-2-7-16(14)15/h1-2,4,7,12,15H,3,5-6,8-11,13H2,(H,22,25)/t15-/m0/s1
InChIKeyIGQPBEXNPGLNKS-HNNXBMFYSA-N
MW358.87 g/mol
LogP2.67
Rot. Bonds3

About 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 142546828) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID142546828
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(C[C@@H]3CCCc4ccccc43)CC2)c1Cl
InChIInChI=1S/C19H23ClN4O/c20-18-17(12-21-22-19(18)25)24-10-8-23(9-11-24)13-15-6-3-5-14-4-1-2-7-16(14)15/h1-2,4,7,12,15H,3,5-6,8-11,13H2,(H,22,25)/t15-/m0/s1
InChIKeyIGQPBEXNPGLNKS-HNNXBMFYSA-N
XLogP2.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 142546828) is 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(C[C@@H]3CCCc4ccccc43)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is IGQPBEXNPGLNKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-18-17(12-21-22-19(18)25)24-10-8-23(9-11-24)13-15-6-3-5-14-4-1-2-7-16(14)15/h1-2,4,7,12,15H,3,5-6,8-11,13H2,(H,22,25)/t15-/m0/s1.
What are the key properties of 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 358.87 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 142546828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).