7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione

C9H8ClN3O2 — CID 175956756

IUPAC7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1nc2[nH]c(=O)c(=O)n(C)c2cc1Cl
InChIInChI=1S/C9H8ClN3O2/c1-4-5(10)3-6-7(11-4)12-8(14)9(15)13(6)2/h3H,1-2H3,(H,11,12,14)
InChIKeyDJKHRHQUVADIJH-UHFFFAOYSA-N
MW225.63 g/mol
LogP0.58
Rot. Bonds

About 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione

7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 175956756) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.63 g/mol. Its IUPAC name is 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID175956756
Molecular FormulaC9H8ClN3O2
Molecular Weight225.63 g/mol
Exact Mass225.03
IUPAC Name7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1nc2[nH]c(=O)c(=O)n(C)c2cc1Cl
InChIInChI=1S/C9H8ClN3O2/c1-4-5(10)3-6-7(11-4)12-8(14)9(15)13(6)2/h3H,1-2H3,(H,11,12,14)
InChIKeyDJKHRHQUVADIJH-UHFFFAOYSA-N
XLogP0.58
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione (CID 175956756) is 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione is Cc1nc2[nH]c(=O)c(=O)n(C)c2cc1Cl.
What is the InChIKey of 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is DJKHRHQUVADIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-4-5(10)3-6-7(11-4)12-8(14)9(15)13(6)2/h3H,1-2H3,(H,11,12,14).
What are the key properties of 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione?
7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 225.63 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,6-dimethyl-4H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 175956756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).