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

C18H20N6OS — CID 126936730

IUPAC6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(NCc2csnn2)CC1
InChIInChI=1S/C18H20N6OS/c25-18-6-5-17(13-7-9-19-10-8-13)22-24(18)16-3-1-14(2-4-16)20-11-15-12-26-23-21-15/h5-10,12,14,16,20H,1-4,11H2
InChIKeyFXYGPFPYGOJYBG-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.43
Rot. Bonds5

About 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one

6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126936730) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
PubChem CID126936730
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(NCc2csnn2)CC1
InChIInChI=1S/C18H20N6OS/c25-18-6-5-17(13-7-9-19-10-8-13)22-24(18)16-3-1-14(2-4-16)20-11-15-12-26-23-21-15/h5-10,12,14,16,20H,1-4,11H2
InChIKeyFXYGPFPYGOJYBG-UHFFFAOYSA-N
XLogP2.43
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934433
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936695
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936711
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]morpholine-4-sulfonamide
CID 126936628
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936839
6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936683
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936752

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one (CID 126936730) is 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1C1CCC(NCc2csnn2)CC1.
What is the InChIKey of 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is FXYGPFPYGOJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18-6-5-17(13-7-9-19-10-8-13)22-24(18)16-3-1-14(2-4-16)20-11-15-12-26-23-21-15/h5-10,12,14,16,20H,1-4,11H2.
What are the key properties of 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 368.47 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126936730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).