5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine

C9H9N3O2 — CID 89103011

IUPAC5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC1OC(c2ccn3nccc3n2)O1
InChIInChI=1S/C9H9N3O2/c1-6-13-9(14-6)7-3-5-12-8(11-7)2-4-10-12/h2-6,9H,1H3
InChIKeyMTNCMUBGCCWOIY-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.12
Rot. Bonds1

About 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine

5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 89103011) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID89103011
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine
SMILESCC1OC(c2ccn3nccc3n2)O1
InChIInChI=1S/C9H9N3O2/c1-6-13-9(14-6)7-3-5-12-8(11-7)2-4-10-12/h2-6,9H,1H3
InChIKeyMTNCMUBGCCWOIY-UHFFFAOYSA-N
XLogP1.12
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine (CID 89103011) is 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine is CC1OC(c2ccn3nccc3n2)O1.
What is the InChIKey of 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is MTNCMUBGCCWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-13-9(14-6)7-3-5-12-8(11-7)2-4-10-12/h2-6,9H,1H3.
What are the key properties of 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine?
5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 191.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 89103011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).