6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C7H9N3O2 — CID 71789350

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C7H9N3O2/c8-7(11)5-4-6-10(9-5)2-1-3-12-6/h4H,1-3H2,(H2,8,11)
InChIKeyVYMFHYCOVQSQTL-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.24
Rot. Bonds1

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 71789350) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID71789350
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESNC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C7H9N3O2/c8-7(11)5-4-6-10(9-5)2-1-3-12-6/h4H,1-3H2,(H2,8,11)
InChIKeyVYMFHYCOVQSQTL-UHFFFAOYSA-N
XLogP-0.24
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 71789350) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is NC(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is VYMFHYCOVQSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7(11)5-4-6-10(9-5)2-1-3-12-6/h4H,1-3H2,(H2,8,11).
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 71789350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).