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

C9H16N2O — CID 145221524

IUPACethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC.Cc1cnn2c1OCCC2
InChIInChI=1S/C7H10N2O.C2H6/c1-6-5-8-9-3-2-4-10-7(6)9;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyLSRICJSKQCINSN-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.00
Rot. Bonds

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

ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 145221524) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Nameethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID145221524
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC.Cc1cnn2c1OCCC2
InChIInChI=1S/C7H10N2O.C2H6/c1-6-5-8-9-3-2-4-10-7(6)9;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyLSRICJSKQCINSN-UHFFFAOYSA-N
XLogP2.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 145221524) is ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC.Cc1cnn2c1OCCC2.
What is the InChIKey of ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is LSRICJSKQCINSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-6-5-8-9-3-2-4-10-7(6)9;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 168.24 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 145221524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).