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

C15H18ClN5O — CID 155551823

IUPAC5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cccnc1CN1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H18ClN5O/c1-11-3-2-4-17-12(11)10-20-5-7-21(8-6-20)13-9-18-19-15(22)14(13)16/h2-4,9H,5-8,10H2,1H3,(H,19,22)
InChIKeyPFCRPZLPCGDRNZ-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.45
Rot. Bonds3

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

5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 155551823) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID155551823
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cccnc1CN1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H18ClN5O/c1-11-3-2-4-17-12(11)10-20-5-7-21(8-6-20)13-9-18-19-15(22)14(13)16/h2-4,9H,5-8,10H2,1H3,(H,19,22)
InChIKeyPFCRPZLPCGDRNZ-UHFFFAOYSA-N
XLogP1.45
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 155551823) is 5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is Cc1cccnc1CN1CCN(c2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is PFCRPZLPCGDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-11-3-2-4-17-12(11)10-20-5-7-21(8-6-20)13-9-18-19-15(22)14(13)16/h2-4,9H,5-8,10H2,1H3,(H,19,22).
What are the key properties of 5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 319.80 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 155551823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).