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

C9H10N4OS — CID 1499203

IUPAC6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one
SMILESO=c1c2nnsc2ncn1C1CCCC1
InChIInChI=1S/C9H10N4OS/c14-9-7-8(15-12-11-7)10-5-13(9)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyFKCNMRPPLQRJMN-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.36
Rot. Bonds1

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

6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one (PubChem CID 1499203) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one
PubChem CID1499203
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one
SMILESO=c1c2nnsc2ncn1C1CCCC1
InChIInChI=1S/C9H10N4OS/c14-9-7-8(15-12-11-7)10-5-13(9)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyFKCNMRPPLQRJMN-UHFFFAOYSA-N
XLogP1.36
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one (CID 1499203) is 6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one is O=c1c2nnsc2ncn1C1CCCC1.
What is the InChIKey of 6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is FKCNMRPPLQRJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c14-9-7-8(15-12-11-7)10-5-13(9)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one?
6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 222.27 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylthiadiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 1499203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).