2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one

C15H16N6OS — CID 171995839

IUPAC2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCN(c3ncnc4sccc34)CC2)cc1=O
InChIInChI=1S/C15H16N6OS/c1-19-13(22)8-11(9-18-19)20-3-5-21(6-4-20)14-12-2-7-23-15(12)17-10-16-14/h2,7-10H,3-6H2,1H3
InChIKeyHDXCMURWRRBKLJ-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.11
Rot. Bonds2

About 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one

2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one (PubChem CID 171995839) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
PubChem CID171995839
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCN(c3ncnc4sccc34)CC2)cc1=O
InChIInChI=1S/C15H16N6OS/c1-19-13(22)8-11(9-18-19)20-3-5-21(6-4-20)14-12-2-7-23-15(12)17-10-16-14/h2,7-10H,3-6H2,1H3
InChIKeyHDXCMURWRRBKLJ-UHFFFAOYSA-N
XLogP1.11
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 9108134
2-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanethioamide
CID 63342372
4-[4-(3-ethoxy-4-nitrophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133350757
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 154582771
(4-methylphenyl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 20849648
(3R)-3,4,4-trimethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-ol
CID 97132639
4-chloro-2-methyl-5-(6-thieno[2,3-d]pyrimidin-4-yl-3,6-diazabicyclo[3.1.1]heptan-3-yl)pyridazin-3-one
CID 172905260
4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
CID 9113696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one (CID 171995839) is 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one is Cn1ncc(N2CCN(c3ncnc4sccc34)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is HDXCMURWRRBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-19-13(22)8-11(9-18-19)20-3-5-21(6-4-20)14-12-2-7-23-15(12)17-10-16-14/h2,7-10H,3-6H2,1H3.
What are the key properties of 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 328.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 171995839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).