5-methyloxadiazolo[5,4-d]pyrimidine

C5H4N4O — CID 130251751

IUPAC5-methyloxadiazolo[5,4-d]pyrimidine
SMILESCc1ncc2nnoc2n1
InChIInChI=1S/C5H4N4O/c1-3-6-2-4-5(7-3)10-9-8-4/h2H,1H3
InChIKeyPEKOTUHLIYJORQ-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.32
Rot. Bonds

About 5-methyloxadiazolo[5,4-d]pyrimidine

5-methyloxadiazolo[5,4-d]pyrimidine (PubChem CID 130251751) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 5-methyloxadiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-methyloxadiazolo[5,4-d]pyrimidine
PubChem CID130251751
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name5-methyloxadiazolo[5,4-d]pyrimidine
SMILESCc1ncc2nnoc2n1
InChIInChI=1S/C5H4N4O/c1-3-6-2-4-5(7-3)10-9-8-4/h2H,1H3
InChIKeyPEKOTUHLIYJORQ-UHFFFAOYSA-N
XLogP0.32
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyloxadiazolo[5,4-d]pyrimidine?
The IUPAC name of 5-methyloxadiazolo[5,4-d]pyrimidine (CID 130251751) is 5-methyloxadiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-methyloxadiazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-methyloxadiazolo[5,4-d]pyrimidine is Cc1ncc2nnoc2n1.
What is the InChIKey of 5-methyloxadiazolo[5,4-d]pyrimidine?
The InChIKey is PEKOTUHLIYJORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c1-3-6-2-4-5(7-3)10-9-8-4/h2H,1H3.
What are the key properties of 5-methyloxadiazolo[5,4-d]pyrimidine?
5-methyloxadiazolo[5,4-d]pyrimidine has a molecular weight of 136.11 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxadiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 130251751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).