2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one

C25H24N6O2S — CID 108729601

IUPAC2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one
SMILESCc1nnc(N2CCN(C(=O)c3c(-c4ccccc4)c(-c4ccccc4)nn(C)c3=O)CC2)s1
InChIInChI=1S/C25H24N6O2S/c1-17-26-27-25(34-17)31-15-13-30(14-16-31)24(33)21-20(18-9-5-3-6-10-18)22(28-29(2)23(21)32)19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3
InChIKeyWFXRRFSVIXOKTO-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.24
Rot. Bonds4

About 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one

2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one (PubChem CID 108729601) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one
PubChem CID108729601
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one
SMILESCc1nnc(N2CCN(C(=O)c3c(-c4ccccc4)c(-c4ccccc4)nn(C)c3=O)CC2)s1
InChIInChI=1S/C25H24N6O2S/c1-17-26-27-25(34-17)31-15-13-30(14-16-31)24(33)21-20(18-9-5-3-6-10-18)22(28-29(2)23(21)32)19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3
InChIKeyWFXRRFSVIXOKTO-UHFFFAOYSA-N
XLogP3.24
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one?
The IUPAC name of 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one (CID 108729601) is 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one.
What is the SMILES notation for 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one?
The canonical SMILES for 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one is Cc1nnc(N2CCN(C(=O)c3c(-c4ccccc4)c(-c4ccccc4)nn(C)c3=O)CC2)s1.
What is the InChIKey of 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one?
The InChIKey is WFXRRFSVIXOKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-17-26-27-25(34-17)31-15-13-30(14-16-31)24(33)21-20(18-9-5-3-6-10-18)22(28-29(2)23(21)32)19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one?
2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one has a molecular weight of 472.57 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]-5,6-diphenylpyridazin-3-one is sourced from PubChem (CID 108729601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).