6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

C13H15ClN6 — CID 59867376

IUPAC6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1cc(Cl)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H15ClN6/c1-10-9-11(14)17-18-12(10)19-5-7-20(8-6-19)13-15-3-2-4-16-13/h2-4,9H,5-8H2,1H3
InChIKeyWKOFDULYVKKCKB-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.56
Rot. Bonds2

About 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 59867376) has the molecular formula C13H15ClN6 and a molecular weight of 290.76 g/mol. Its IUPAC name is 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID59867376
Molecular FormulaC13H15ClN6
Molecular Weight290.76 g/mol
Exact Mass290.10
IUPAC Name6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1cc(Cl)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H15ClN6/c1-10-9-11(14)17-18-12(10)19-5-7-20(8-6-19)13-15-3-2-4-16-13/h2-4,9H,5-8H2,1H3
InChIKeyWKOFDULYVKKCKB-UHFFFAOYSA-N
XLogP1.56
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 59867376) is 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is Cc1cc(Cl)nnc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is WKOFDULYVKKCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6/c1-10-9-11(14)17-18-12(10)19-5-7-20(8-6-19)13-15-3-2-4-16-13/h2-4,9H,5-8H2,1H3.
What are the key properties of 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 290.76 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 59867376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).