6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid

C9H12N2O3 — CID 71777853

IUPAC6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
SMILESCC1(C)COc2cc(C(=O)O)nn2C1
InChIInChI=1S/C9H12N2O3/c1-9(2)4-11-7(14-5-9)3-6(10-11)8(12)13/h3H,4-5H2,1-2H3,(H,12,13)
InChIKeyWAPAGKUGKAJGBH-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.00
Rot. Bonds1

About 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid

6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid (PubChem CID 71777853) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
PubChem CID71777853
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid
SMILESCC1(C)COc2cc(C(=O)O)nn2C1
InChIInChI=1S/C9H12N2O3/c1-9(2)4-11-7(14-5-9)3-6(10-11)8(12)13/h3H,4-5H2,1-2H3,(H,12,13)
InChIKeyWAPAGKUGKAJGBH-UHFFFAOYSA-N
XLogP1.00
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The IUPAC name of 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid (CID 71777853) is 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid is CC1(C)COc2cc(C(=O)O)nn2C1.
What is the InChIKey of 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
The InChIKey is WAPAGKUGKAJGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2)4-11-7(14-5-9)3-6(10-11)8(12)13/h3H,4-5H2,1-2H3,(H,12,13).
What are the key properties of 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid?
6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxylic acid is sourced from PubChem (CID 71777853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).