2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine

C7H10N2O — CID 134463158

IUPAC2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine
SMILESC1=CC2=C(CN1)OCCN2
InChIInChI=1S/C7H10N2O/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,8-9H,3-5H2
InChIKeyNJMMKFHZDKVHRU-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.07
Rot. Bonds

About 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine

2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine (PubChem CID 134463158) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine
PubChem CID134463158
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine
SMILESC1=CC2=C(CN1)OCCN2
InChIInChI=1S/C7H10N2O/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,8-9H,3-5H2
InChIKeyNJMMKFHZDKVHRU-UHFFFAOYSA-N
XLogP-0.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine?
The IUPAC name of 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine (CID 134463158) is 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine is C1=CC2=C(CN1)OCCN2.
What is the InChIKey of 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine?
The InChIKey is NJMMKFHZDKVHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,8-9H,3-5H2.
What are the key properties of 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine?
2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine has a molecular weight of 138.17 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydro-1H-pyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 134463158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).