7,8-dihydro-3H-pteridin-4-one

C6H6N4O — CID 135743866

IUPAC7,8-dihydro-3H-pteridin-4-one
SMILESO=c1[nH]cnc2c1N=CCN2
InChIInChI=1S/C6H6N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1,3H,2H2,(H2,8,9,10,11)
InChIKeyRSPZIHWNURGJFC-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.10
Rot. Bonds

About 7,8-dihydro-3H-pteridin-4-one

7,8-dihydro-3H-pteridin-4-one (PubChem CID 135743866) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name7,8-dihydro-3H-pteridin-4-one
PubChem CID135743866
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name7,8-dihydro-3H-pteridin-4-one
SMILESO=c1[nH]cnc2c1N=CCN2
InChIInChI=1S/C6H6N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1,3H,2H2,(H2,8,9,10,11)
InChIKeyRSPZIHWNURGJFC-UHFFFAOYSA-N
XLogP-0.10
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 7,8-dihydro-3H-pteridin-4-one (CID 135743866) is 7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 7,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 7,8-dihydro-3H-pteridin-4-one is O=c1[nH]cnc2c1N=CCN2.
What is the InChIKey of 7,8-dihydro-3H-pteridin-4-one?
The InChIKey is RSPZIHWNURGJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h1,3H,2H2,(H2,8,9,10,11).
What are the key properties of 7,8-dihydro-3H-pteridin-4-one?
7,8-dihydro-3H-pteridin-4-one has a molecular weight of 150.14 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 135743866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).