2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione

C11H15N3O4 — CID 130255863

IUPAC2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCCN1Cn2cc(O)c(=O)c(O)c2C(=O)N1CC
InChIInChI=1S/C11H15N3O4/c1-3-13-6-12-5-7(15)9(16)10(17)8(12)11(18)14(13)4-2/h5,15,17H,3-4,6H2,1-2H3
InChIKeyPCVNRMNVTGVNCO-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.07
Rot. Bonds2

About 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione

2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (PubChem CID 130255863) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.

Molecular Properties

Compound Name2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
PubChem CID130255863
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione
SMILESCCN1Cn2cc(O)c(=O)c(O)c2C(=O)N1CC
InChIInChI=1S/C11H15N3O4/c1-3-13-6-12-5-7(15)9(16)10(17)8(12)11(18)14(13)4-2/h5,15,17H,3-4,6H2,1-2H3
InChIKeyPCVNRMNVTGVNCO-UHFFFAOYSA-N
XLogP-0.07
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The IUPAC name of 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione (CID 130255863) is 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione.
What is the SMILES notation for 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The canonical SMILES for 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is CCN1Cn2cc(O)c(=O)c(O)c2C(=O)N1CC.
What is the InChIKey of 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
The InChIKey is PCVNRMNVTGVNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-13-6-12-5-7(15)9(16)10(17)8(12)11(18)14(13)4-2/h5,15,17H,3-4,6H2,1-2H3.
What are the key properties of 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione?
2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione has a molecular weight of 253.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-7,9-dihydroxy-4H-pyrido[1,2-d][1,2,4]triazine-1,8-dione is sourced from PubChem (CID 130255863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).