4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione

C10H16N4O2 — CID 57204132

IUPAC4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione
SMILESO=C1NC(=O)C2NC3CCCCC3NC2N1
InChIInChI=1S/C10H16N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h5-8,11-12H,1-4H2,(H2,13,14,15,16)
InChIKeyOQGCDGFRLLDCTL-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.98
Rot. Bonds

About 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione

4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione (PubChem CID 57204132) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione
PubChem CID57204132
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione
SMILESO=C1NC(=O)C2NC3CCCCC3NC2N1
InChIInChI=1S/C10H16N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h5-8,11-12H,1-4H2,(H2,13,14,15,16)
InChIKeyOQGCDGFRLLDCTL-UHFFFAOYSA-N
XLogP-0.98
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione (CID 57204132) is 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione is O=C1NC(=O)C2NC3CCCCC3NC2N1.
What is the InChIKey of 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione?
The InChIKey is OQGCDGFRLLDCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-9-7-8(13-10(16)14-9)12-6-4-2-1-3-5(6)11-7/h5-8,11-12H,1-4H2,(H2,13,14,15,16).
What are the key properties of 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione?
4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -0.98, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 57204132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).