5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C8H11N3O2 — CID 172743263

IUPAC5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCC1CCn2ncc(C(N)=O)c2O1
InChIInChI=1S/C8H11N3O2/c1-5-2-3-11-8(13-5)6(4-10-11)7(9)12/h4-5H,2-3H2,1H3,(H2,9,12)
InChIKeyJJNDSPBRYJADJF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.15
Rot. Bonds1

About 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 172743263) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID172743263
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCC1CCn2ncc(C(N)=O)c2O1
InChIInChI=1S/C8H11N3O2/c1-5-2-3-11-8(13-5)6(4-10-11)7(9)12/h4-5H,2-3H2,1H3,(H2,9,12)
InChIKeyJJNDSPBRYJADJF-UHFFFAOYSA-N
XLogP0.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 172743263) is 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is CC1CCn2ncc(C(N)=O)c2O1.
What is the InChIKey of 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is JJNDSPBRYJADJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-2-3-11-8(13-5)6(4-10-11)7(9)12/h4-5H,2-3H2,1H3,(H2,9,12).
What are the key properties of 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 172743263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).