1H-pyrido[3,2-d][1,3]oxazine-2,4-dione

C7H4N2O3 — CID 13198694

IUPAC1H-pyrido[3,2-d][1,3]oxazine-2,4-dione
SMILESO=c1[nH]c2cccnc2c(=O)o1
InChIInChI=1S/C7H4N2O3/c10-6-5-4(2-1-3-8-5)9-7(11)12-6/h1-3H,(H,9,11)
InChIKeyOINYTHCNBVUELD-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.12
Rot. Bonds

About 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione

1H-pyrido[3,2-d][1,3]oxazine-2,4-dione (PubChem CID 13198694) has the molecular formula C7H4N2O3 and a molecular weight of 164.12 g/mol. Its IUPAC name is 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name1H-pyrido[3,2-d][1,3]oxazine-2,4-dione
PubChem CID13198694
Molecular FormulaC7H4N2O3
Molecular Weight164.12 g/mol
Exact Mass164.02
IUPAC Name1H-pyrido[3,2-d][1,3]oxazine-2,4-dione
SMILESO=c1[nH]c2cccnc2c(=O)o1
InChIInChI=1S/C7H4N2O3/c10-6-5-4(2-1-3-8-5)9-7(11)12-6/h1-3H,(H,9,11)
InChIKeyOINYTHCNBVUELD-UHFFFAOYSA-N
XLogP-0.12
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione?
The IUPAC name of 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione (CID 13198694) is 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione is O=c1[nH]c2cccnc2c(=O)o1.
What is the InChIKey of 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione?
The InChIKey is OINYTHCNBVUELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3/c10-6-5-4(2-1-3-8-5)9-7(11)12-6/h1-3H,(H,9,11).
What are the key properties of 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione?
1H-pyrido[3,2-d][1,3]oxazine-2,4-dione has a molecular weight of 164.12 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[3,2-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 13198694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).