2H-oxazine;2H-triazolo[4,5-b]pyridine

C9H9N5O — CID 174569579

IUPAC2H-oxazine;2H-triazolo[4,5-b]pyridine
SMILESC1=CNOC=C1.c1cnc2n[nH]nc2c1
InChIInChI=1S/C5H4N4.C4H5NO/c1-2-4-5(6-3-1)8-9-7-4;1-2-4-6-5-3-1/h1-3H,(H,6,7,8,9);1-5H
InChIKeyDFDIGTYPVVGJCU-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.90
Rot. Bonds

About 2H-oxazine;2H-triazolo[4,5-b]pyridine

2H-oxazine;2H-triazolo[4,5-b]pyridine (PubChem CID 174569579) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 2H-oxazine;2H-triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2H-oxazine;2H-triazolo[4,5-b]pyridine
PubChem CID174569579
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name2H-oxazine;2H-triazolo[4,5-b]pyridine
SMILESC1=CNOC=C1.c1cnc2n[nH]nc2c1
InChIInChI=1S/C5H4N4.C4H5NO/c1-2-4-5(6-3-1)8-9-7-4;1-2-4-6-5-3-1/h1-3H,(H,6,7,8,9);1-5H
InChIKeyDFDIGTYPVVGJCU-UHFFFAOYSA-N
XLogP0.90
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2H-oxazine;2H-triazolo[4,5-b]pyridine?
The IUPAC name of 2H-oxazine;2H-triazolo[4,5-b]pyridine (CID 174569579) is 2H-oxazine;2H-triazolo[4,5-b]pyridine.
What is the SMILES notation for 2H-oxazine;2H-triazolo[4,5-b]pyridine?
The canonical SMILES for 2H-oxazine;2H-triazolo[4,5-b]pyridine is C1=CNOC=C1.c1cnc2n[nH]nc2c1.
What is the InChIKey of 2H-oxazine;2H-triazolo[4,5-b]pyridine?
The InChIKey is DFDIGTYPVVGJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4.C4H5NO/c1-2-4-5(6-3-1)8-9-7-4;1-2-4-6-5-3-1/h1-3H,(H,6,7,8,9);1-5H.
What are the key properties of 2H-oxazine;2H-triazolo[4,5-b]pyridine?
2H-oxazine;2H-triazolo[4,5-b]pyridine has a molecular weight of 203.21 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-oxazine;2H-triazolo[4,5-b]pyridine is sourced from PubChem (CID 174569579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).