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

C7H9IN2O — CID 131285456

IUPAC3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC1COc2c(I)cnn2C1
InChIInChI=1S/C7H9IN2O/c1-5-3-10-7(11-4-5)6(8)2-9-10/h2,5H,3-4H2,1H3
InChIKeyMDAOINGBFAZHRX-UHFFFAOYSA-N
MW264.07 g/mol
LogP1.52
Rot. Bonds

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

3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 131285456) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is 3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID131285456
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCC1COc2c(I)cnn2C1
InChIInChI=1S/C7H9IN2O/c1-5-3-10-7(11-4-5)6(8)2-9-10/h2,5H,3-4H2,1H3
InChIKeyMDAOINGBFAZHRX-UHFFFAOYSA-N
XLogP1.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine
CID 69188689
3-bromo-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 84040282
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 122362451
3-iodo-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 124155298
4-iodo-5-methoxy-1-methyl-1H-pyrazole
CID 135235808
3-ethynyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 155819315
3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 128964481
3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 141083368
5-Ethoxy-1-ethyl-4-fluoropyrazole
CID 141420740
6-fluoro-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146618025
6-Fluoro-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 163323752
3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 163602676

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 131285456) is 3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is CC1COc2c(I)cnn2C1.
What is the InChIKey of 3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is MDAOINGBFAZHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O/c1-5-3-10-7(11-4-5)6(8)2-9-10/h2,5H,3-4H2,1H3.
What are the key properties of 3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 264.07 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 131285456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).