5,6,7,8-tetrahydro-3H-pteridin-4-one

C6H8N4O — CID 135755335

IUPAC5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESO=c1[nH]cnc2c1NCCN2
InChIInChI=1S/C6H8N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h3,7H,1-2H2,(H2,8,9,10,11)
InChIKeyYMYLCENGLBCRLP-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.39
Rot. Bonds

About 5,6,7,8-tetrahydro-3H-pteridin-4-one

5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135755335) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135755335
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESO=c1[nH]cnc2c1NCCN2
InChIInChI=1S/C6H8N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h3,7H,1-2H2,(H2,8,9,10,11)
InChIKeyYMYLCENGLBCRLP-UHFFFAOYSA-N
XLogP-0.39
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 ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135755335) is 5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 5,6,7,8-tetrahydro-3H-pteridin-4-one is O=c1[nH]cnc2c1NCCN2.
What is the InChIKey of 5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is YMYLCENGLBCRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h3,7H,1-2H2,(H2,8,9,10,11).
What are the key properties of 5,6,7,8-tetrahydro-3H-pteridin-4-one?
5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 152.16 g/mol, XLogP of -0.39, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135755335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).