7-methyl-3H-pteridin-4-one

C7H6N4O — CID 135508355

IUPAC7-methyl-3H-pteridin-4-one
SMILESCc1cnc2c(=O)[nH]cnc2n1
InChIInChI=1S/C7H6N4O/c1-4-2-8-5-6(11-4)9-3-10-7(5)12/h2-3H,1H3,(H,9,10,11,12)
InChIKeyZFKCYEYVBSXGLU-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.02
Rot. Bonds

About 7-methyl-3H-pteridin-4-one

7-methyl-3H-pteridin-4-one (PubChem CID 135508355) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 7-methyl-3H-pteridin-4-one.

Molecular Properties

Compound Name7-methyl-3H-pteridin-4-one
PubChem CID135508355
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name7-methyl-3H-pteridin-4-one
SMILESCc1cnc2c(=O)[nH]cnc2n1
InChIInChI=1S/C7H6N4O/c1-4-2-8-5-6(11-4)9-3-10-7(5)12/h2-3H,1H3,(H,9,10,11,12)
InChIKeyZFKCYEYVBSXGLU-UHFFFAOYSA-N
XLogP0.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3H-pteridin-4-one?
The IUPAC name of 7-methyl-3H-pteridin-4-one (CID 135508355) is 7-methyl-3H-pteridin-4-one.
What is the SMILES notation for 7-methyl-3H-pteridin-4-one?
The canonical SMILES for 7-methyl-3H-pteridin-4-one is Cc1cnc2c(=O)[nH]cnc2n1.
What is the InChIKey of 7-methyl-3H-pteridin-4-one?
The InChIKey is ZFKCYEYVBSXGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-4-2-8-5-6(11-4)9-3-10-7(5)12/h2-3H,1H3,(H,9,10,11,12).
What are the key properties of 7-methyl-3H-pteridin-4-one?
7-methyl-3H-pteridin-4-one has a molecular weight of 162.15 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-pteridin-4-one is sourced from PubChem (CID 135508355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).