6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one

C10H12N4OS — CID 1499194

IUPAC6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one
SMILESO=c1c2nnsc2ncn1C1CCCCC1
InChIInChI=1S/C10H12N4OS/c15-10-8-9(16-13-12-8)11-6-14(10)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyPSNSVLXSDXCKNO-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.75
Rot. Bonds1

About 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one

6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one (PubChem CID 1499194) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one
PubChem CID1499194
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one
SMILESO=c1c2nnsc2ncn1C1CCCCC1
InChIInChI=1S/C10H12N4OS/c15-10-8-9(16-13-12-8)11-6-14(10)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyPSNSVLXSDXCKNO-UHFFFAOYSA-N
XLogP1.75
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one (CID 1499194) is 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one is O=c1c2nnsc2ncn1C1CCCCC1.
What is the InChIKey of 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is PSNSVLXSDXCKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c15-10-8-9(16-13-12-8)11-6-14(10)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one?
6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 236.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylthiadiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 1499194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).