2,3,4,8-tetrahydro-1H-pteridin-7-one

C6H8N4O — CID 69477149

IUPAC2,3,4,8-tetrahydro-1H-pteridin-7-one
SMILESO=c1cnc2c([nH]1)NCNC2
InChIInChI=1S/C6H8N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h2,7H,1,3H2,(H2,9,10,11)
InChIKeyHLXHMHNJUJNQEJ-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.76
Rot. Bonds

About 2,3,4,8-tetrahydro-1H-pteridin-7-one

2,3,4,8-tetrahydro-1H-pteridin-7-one (PubChem CID 69477149) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2,3,4,8-tetrahydro-1H-pteridin-7-one.

Molecular Properties

Compound Name2,3,4,8-tetrahydro-1H-pteridin-7-one
PubChem CID69477149
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2,3,4,8-tetrahydro-1H-pteridin-7-one
SMILESO=c1cnc2c([nH]1)NCNC2
InChIInChI=1S/C6H8N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h2,7H,1,3H2,(H2,9,10,11)
InChIKeyHLXHMHNJUJNQEJ-UHFFFAOYSA-N
XLogP-0.76
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,8-tetrahydro-1H-pteridin-7-one?
The IUPAC name of 2,3,4,8-tetrahydro-1H-pteridin-7-one (CID 69477149) is 2,3,4,8-tetrahydro-1H-pteridin-7-one.
What is the SMILES notation for 2,3,4,8-tetrahydro-1H-pteridin-7-one?
The canonical SMILES for 2,3,4,8-tetrahydro-1H-pteridin-7-one is O=c1cnc2c([nH]1)NCNC2.
What is the InChIKey of 2,3,4,8-tetrahydro-1H-pteridin-7-one?
The InChIKey is HLXHMHNJUJNQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h2,7H,1,3H2,(H2,9,10,11).
What are the key properties of 2,3,4,8-tetrahydro-1H-pteridin-7-one?
2,3,4,8-tetrahydro-1H-pteridin-7-one has a molecular weight of 152.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,8-tetrahydro-1H-pteridin-7-one is sourced from PubChem (CID 69477149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).