2-pyridin-4-yl-3H-pteridin-4-one

C11H7N5O — CID 135932000

IUPAC2-pyridin-4-yl-3H-pteridin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2nccnc12
InChIInChI=1S/C11H7N5O/c17-11-8-10(14-6-5-13-8)15-9(16-11)7-1-3-12-4-2-7/h1-6H,(H,14,15,16,17)
InChIKeyOCJKUMHBMZVQNN-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.78
Rot. Bonds1

About 2-pyridin-4-yl-3H-pteridin-4-one

2-pyridin-4-yl-3H-pteridin-4-one (PubChem CID 135932000) has the molecular formula C11H7N5O and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-pyridin-4-yl-3H-pteridin-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-3H-pteridin-4-one
PubChem CID135932000
Molecular FormulaC11H7N5O
Molecular Weight225.21 g/mol
Exact Mass225.07
IUPAC Name2-pyridin-4-yl-3H-pteridin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2nccnc12
InChIInChI=1S/C11H7N5O/c17-11-8-10(14-6-5-13-8)15-9(16-11)7-1-3-12-4-2-7/h1-6H,(H,14,15,16,17)
InChIKeyOCJKUMHBMZVQNN-UHFFFAOYSA-N
XLogP0.78
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-3H-pteridin-4-one?
The IUPAC name of 2-pyridin-4-yl-3H-pteridin-4-one (CID 135932000) is 2-pyridin-4-yl-3H-pteridin-4-one.
What is the SMILES notation for 2-pyridin-4-yl-3H-pteridin-4-one?
The canonical SMILES for 2-pyridin-4-yl-3H-pteridin-4-one is O=c1[nH]c(-c2ccncc2)nc2nccnc12.
What is the InChIKey of 2-pyridin-4-yl-3H-pteridin-4-one?
The InChIKey is OCJKUMHBMZVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O/c17-11-8-10(14-6-5-13-8)15-9(16-11)7-1-3-12-4-2-7/h1-6H,(H,14,15,16,17).
What are the key properties of 2-pyridin-4-yl-3H-pteridin-4-one?
2-pyridin-4-yl-3H-pteridin-4-one has a molecular weight of 225.21 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-3H-pteridin-4-one is sourced from PubChem (CID 135932000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).