7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione

C13H13N4O2+ — CID 6102786

IUPAC7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)[nH]c3[n+](C)c2cc1C
InChIInChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)/p+1
InChIKeyKPDQZGKJTJRBGU-UHFFFAOYSA-O
MW257.27 g/mol
LogP0.21
Rot. Bonds

About 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione

7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione (PubChem CID 6102786) has the molecular formula C13H13N4O2+ and a molecular weight of 257.27 g/mol. Its IUPAC name is 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione.

Molecular Properties

Compound Name7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione
PubChem CID6102786
Molecular FormulaC13H13N4O2+
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)[nH]c3[n+](C)c2cc1C
InChIInChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)/p+1
InChIKeyKPDQZGKJTJRBGU-UHFFFAOYSA-O
XLogP0.21
TPSA82.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione?
The IUPAC name of 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione (CID 6102786) is 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione.
What is the SMILES notation for 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione?
The canonical SMILES for 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)[nH]c3[n+](C)c2cc1C.
What is the InChIKey of 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione?
The InChIKey is KPDQZGKJTJRBGU-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12N4O2/c1-6-4-8-9(5-7(6)2)17(3)11-10(14-8)12(18)16-13(19)15-11/h4-5H,1-3H3,(H,16,18,19)/p+1.
What are the key properties of 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione?
7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione has a molecular weight of 257.27 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10-trimethyl-1H-benzo[g]pteridin-10-ium-2,4-dione is sourced from PubChem (CID 6102786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).