(6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one

C9H9N3O2 — CID 136574696

IUPAC(6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESC/C(O)=c1\cnc2cc(C)nn2c1=O
InChIInChI=1S/C9H9N3O2/c1-5-3-8-10-4-7(6(2)13)9(14)12(8)11-5/h3-4,13H,1-2H3/b7-6-
InChIKeyZXXUJMALBQAAKV-SREVYHEPSA-N
MW191.19 g/mol
LogP-0.20
Rot. Bonds

About (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one

(6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 136574696) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name(6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID136574696
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESC/C(O)=c1\cnc2cc(C)nn2c1=O
InChIInChI=1S/C9H9N3O2/c1-5-3-8-10-4-7(6(2)13)9(14)12(8)11-5/h3-4,13H,1-2H3/b7-6-
InChIKeyZXXUJMALBQAAKV-SREVYHEPSA-N
XLogP-0.20
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one (CID 136574696) is (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one is C/C(O)=c1\cnc2cc(C)nn2c1=O.
What is the InChIKey of (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZXXUJMALBQAAKV-SREVYHEPSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-3-8-10-4-7(6(2)13)9(14)12(8)11-5/h3-4,13H,1-2H3/b7-6-.
What are the key properties of (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one?
(6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 191.19 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(1-hydroxyethylidene)-2-methylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 136574696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).