3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol

C8H12N2O2 — CID 147302740

IUPAC3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol
SMILESCc1cnn2c1OCC(C)(O)C2
InChIInChI=1S/C8H12N2O2/c1-6-3-9-10-4-8(2,11)5-12-7(6)10/h3,11H,4-5H2,1-2H3
InChIKeyCWKHVWFMJWCUTI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.33
Rot. Bonds

About 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol

3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol (PubChem CID 147302740) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol.

Molecular Properties

Compound Name3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol
PubChem CID147302740
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol
SMILESCc1cnn2c1OCC(C)(O)C2
InChIInChI=1S/C8H12N2O2/c1-6-3-9-10-4-8(2,11)5-12-7(6)10/h3,11H,4-5H2,1-2H3
InChIKeyCWKHVWFMJWCUTI-UHFFFAOYSA-N
XLogP0.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol?
The IUPAC name of 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol (CID 147302740) is 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol.
What is the SMILES notation for 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol?
The canonical SMILES for 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol is Cc1cnn2c1OCC(C)(O)C2.
What is the InChIKey of 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol?
The InChIKey is CWKHVWFMJWCUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-3-9-10-4-8(2,11)5-12-7(6)10/h3,11H,4-5H2,1-2H3.
What are the key properties of 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol?
3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol has a molecular weight of 168.20 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-6-ol is sourced from PubChem (CID 147302740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).