7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione

C6H8N4O3 — CID 172786142

IUPAC7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
SMILESO=C1NC(=O)C2NCC(O)N=C2N1
InChIInChI=1S/C6H8N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h2-3,7,11H,1H2,(H2,8,9,10,12,13)
InChIKeyOXNFXNPQEPJNKY-UHFFFAOYSA-N
MW184.15 g/mol
LogP-2.49
Rot. Bonds

About 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione

7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione (PubChem CID 172786142) has the molecular formula C6H8N4O3 and a molecular weight of 184.15 g/mol. Its IUPAC name is 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
PubChem CID172786142
Molecular FormulaC6H8N4O3
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
SMILESO=C1NC(=O)C2NCC(O)N=C2N1
InChIInChI=1S/C6H8N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h2-3,7,11H,1H2,(H2,8,9,10,12,13)
InChIKeyOXNFXNPQEPJNKY-UHFFFAOYSA-N
XLogP-2.49
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione?
The IUPAC name of 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione (CID 172786142) is 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione.
What is the SMILES notation for 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione?
The canonical SMILES for 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione is O=C1NC(=O)C2NCC(O)N=C2N1.
What is the InChIKey of 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione?
The InChIKey is OXNFXNPQEPJNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c11-2-1-7-3-4(8-2)9-6(13)10-5(3)12/h2-3,7,11H,1H2,(H2,8,9,10,12,13).
What are the key properties of 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione?
7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione has a molecular weight of 184.15 g/mol, XLogP of -2.49, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione is sourced from PubChem (CID 172786142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).