2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one

C13H17N5OS — CID 126934433

IUPAC2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NCc2csnn2)CC1
InChIInChI=1S/C13H17N5OS/c19-13-2-1-7-15-18(13)12-5-3-10(4-6-12)14-8-11-9-20-17-16-11/h1-2,7,9-10,12,14H,3-6,8H2
InChIKeyXWMZFEMTYKZXQA-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.37
Rot. Bonds4

About 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one

2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934433) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934433
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1cccnn1C1CCC(NCc2csnn2)CC1
InChIInChI=1S/C13H17N5OS/c19-13-2-1-7-15-18(13)12-5-3-10(4-6-12)14-8-11-9-20-17-16-11/h1-2,7,9-10,12,14H,3-6,8H2
InChIKeyXWMZFEMTYKZXQA-UHFFFAOYSA-N
XLogP1.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one (CID 126934433) is 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one is O=c1cccnn1C1CCC(NCc2csnn2)CC1.
What is the InChIKey of 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is XWMZFEMTYKZXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c19-13-2-1-7-15-18(13)12-5-3-10(4-6-12)14-8-11-9-20-17-16-11/h1-2,7,9-10,12,14H,3-6,8H2.
What are the key properties of 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 291.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).