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

C8H10N2O2 — CID 84652336

IUPAC6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
SMILESCC1COc2c(C=O)cnn2C1
InChIInChI=1S/C8H10N2O2/c1-6-3-10-8(12-5-6)7(4-11)2-9-10/h2,4,6H,3,5H2,1H3
InChIKeyNZKLSKMPDHHGDG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.72
Rot. Bonds1

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

6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde (PubChem CID 84652336) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
PubChem CID84652336
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde
SMILESCC1COc2c(C=O)cnn2C1
InChIInChI=1S/C8H10N2O2/c1-6-3-10-8(12-5-6)7(4-11)2-9-10/h2,4,6H,3,5H2,1H3
InChIKeyNZKLSKMPDHHGDG-UHFFFAOYSA-N
XLogP0.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde?
The IUPAC name of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde (CID 84652336) is 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde.
What is the SMILES notation for 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde?
The canonical SMILES for 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde is CC1COc2c(C=O)cnn2C1.
What is the InChIKey of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde?
The InChIKey is NZKLSKMPDHHGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-3-10-8(12-5-6)7(4-11)2-9-10/h2,4,6H,3,5H2,1H3.
What are the key properties of 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde?
6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbaldehyde is sourced from PubChem (CID 84652336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).