3,4a,7,8-tetrahydro-2H-pteridin-4-one

C6H8N4O — CID 57074695

IUPAC3,4a,7,8-tetrahydro-2H-pteridin-4-one
SMILESO=C1NCN=C2NCC=NC12
InChIInChI=1S/C6H8N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1,4H,2-3H2,(H,8,9)(H,10,11)
InChIKeySXTWMDWAURRYRS-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.49
Rot. Bonds

About 3,4a,7,8-tetrahydro-2H-pteridin-4-one

3,4a,7,8-tetrahydro-2H-pteridin-4-one (PubChem CID 57074695) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 3,4a,7,8-tetrahydro-2H-pteridin-4-one.

Molecular Properties

Compound Name3,4a,7,8-tetrahydro-2H-pteridin-4-one
PubChem CID57074695
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name3,4a,7,8-tetrahydro-2H-pteridin-4-one
SMILESO=C1NCN=C2NCC=NC12
InChIInChI=1S/C6H8N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1,4H,2-3H2,(H,8,9)(H,10,11)
InChIKeySXTWMDWAURRYRS-UHFFFAOYSA-N
XLogP-1.49
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4a,7,8-tetrahydro-2H-pteridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
1,2,5,9-Tetrahydropurin-6-one
CID 134146988
6,7-Dimethyltetra-hydropterin
CID 9899443
2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one
CID 73164738
6,7-Dimethyl-tetrahydropteridin-4(3h)one
CID 129675501
3-Methyl-2-sulfanylidene-4a,8-dihydropteridine-4,7-dione
CID 74721748
2-(dimethylamino)-6,7-dimethyl-4a,5,6,7-tetrahydro-3H-pteridin-4-one
CID 145918486
2-Amino-3,4a,8,8a-tetrahydropteridine-4,7-dione
CID 57336529
2-methyl-4a,8a-dihydro-3H-pteridin-4-one
CID 20720864
2-amino-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53675801
2-(methylamino)-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53695782
2-amino-6,7-dimethyl-3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 53836789

Frequently Asked Questions

What is the IUPAC name of 3,4a,7,8-tetrahydro-2H-pteridin-4-one?
The IUPAC name of 3,4a,7,8-tetrahydro-2H-pteridin-4-one (CID 57074695) is 3,4a,7,8-tetrahydro-2H-pteridin-4-one.
What is the SMILES notation for 3,4a,7,8-tetrahydro-2H-pteridin-4-one?
The canonical SMILES for 3,4a,7,8-tetrahydro-2H-pteridin-4-one is O=C1NCN=C2NCC=NC12.
What is the InChIKey of 3,4a,7,8-tetrahydro-2H-pteridin-4-one?
The InChIKey is SXTWMDWAURRYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1,4H,2-3H2,(H,8,9)(H,10,11).
What are the key properties of 3,4a,7,8-tetrahydro-2H-pteridin-4-one?
3,4a,7,8-tetrahydro-2H-pteridin-4-one has a molecular weight of 152.16 g/mol, XLogP of -1.49, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,7,8-tetrahydro-2H-pteridin-4-one is sourced from PubChem (CID 57074695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).