4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine

C17H18N6S — CID 71449665

IUPAC4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine
SMILESCc1cc(-c2ccsc2)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H18N6S/c1-13-11-15(14-3-10-24-12-14)20-21-16(13)22-6-8-23(9-7-22)17-18-4-2-5-19-17/h2-5,10-12H,6-9H2,1H3
InChIKeyMGSFNAYFWCAQQR-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.63
Rot. Bonds3

About 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine

4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine (PubChem CID 71449665) has the molecular formula C17H18N6S and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine.

Molecular Properties

Compound Name4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine
PubChem CID71449665
Molecular FormulaC17H18N6S
Molecular Weight338.44 g/mol
Exact Mass338.13
IUPAC Name4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine
SMILESCc1cc(-c2ccsc2)nnc1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H18N6S/c1-13-11-15(14-3-10-24-12-14)20-21-16(13)22-6-8-23(9-7-22)17-18-4-2-5-19-17/h2-5,10-12H,6-9H2,1H3
InChIKeyMGSFNAYFWCAQQR-UHFFFAOYSA-N
XLogP2.63
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine?
The IUPAC name of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine (CID 71449665) is 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine.
What is the SMILES notation for 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine?
The canonical SMILES for 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine is Cc1cc(-c2ccsc2)nnc1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine?
The InChIKey is MGSFNAYFWCAQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6S/c1-13-11-15(14-3-10-24-12-14)20-21-16(13)22-6-8-23(9-7-22)17-18-4-2-5-19-17/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine?
4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine has a molecular weight of 338.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-6-thiophen-3-ylpyridazine is sourced from PubChem (CID 71449665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).