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

C13H16N6 — CID 59867561

IUPAC4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1ccnnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H16N6/c1-11-3-6-16-17-12(11)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h2-6H,7-10H2,1H3
InChIKeyFYASMTBNZXJTCF-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.90
Rot. Bonds2

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

4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 59867561) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID59867561
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESCc1ccnnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H16N6/c1-11-3-6-16-17-12(11)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h2-6H,7-10H2,1H3
InChIKeyFYASMTBNZXJTCF-UHFFFAOYSA-N
XLogP0.90
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 59867561) is 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is Cc1ccnnc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is FYASMTBNZXJTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-11-3-6-16-17-12(11)18-7-9-19(10-8-18)13-14-4-2-5-15-13/h2-6H,7-10H2,1H3.
What are the key properties of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 256.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 59867561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).