carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

C10H11N3O3 — CID 162110505

IUPACcarbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESCCc1cc2c(N)noc2nc1C.O=C=O
InChIInChI=1S/C9H11N3O.CO2/c1-3-6-4-7-8(10)12-13-9(7)11-5(6)2;2-1-3/h4H,3H2,1-2H3,(H2,10,12);
InChIKeyZGBYLBNODKYYNB-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.09
Rot. Bonds1

About carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine

carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine (PubChem CID 162110505) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Namecarbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
PubChem CID162110505
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namecarbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESCCc1cc2c(N)noc2nc1C.O=C=O
InChIInChI=1S/C9H11N3O.CO2/c1-3-6-4-7-8(10)12-13-9(7)11-5(6)2;2-1-3/h4H,3H2,1-2H3,(H2,10,12);
InChIKeyZGBYLBNODKYYNB-UHFFFAOYSA-N
XLogP1.09
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The IUPAC name of carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine (CID 162110505) is carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine is CCc1cc2c(N)noc2nc1C.O=C=O.
What is the InChIKey of carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The InChIKey is ZGBYLBNODKYYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O.CO2/c1-3-6-4-7-8(10)12-13-9(7)11-5(6)2;2-1-3/h4H,3H2,1-2H3,(H2,10,12);.
What are the key properties of carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine?
carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine has a molecular weight of 221.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-ethyl-6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 162110505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).