6H-pyrido[3,2-d]pyrimidin-7-one

C7H5N3O — CID 67204701

IUPAC6H-pyrido[3,2-d]pyrimidin-7-one
SMILESO=C1C=c2ncncc2=NC1
InChIInChI=1S/C7H5N3O/c11-5-1-6-7(9-2-5)3-8-4-10-6/h1,3-4H,2H2
InChIKeyUWABAWGNHPXGBQ-UHFFFAOYSA-N
MW147.14 g/mol
LogP-1.54
Rot. Bonds

About 6H-pyrido[3,2-d]pyrimidin-7-one

6H-pyrido[3,2-d]pyrimidin-7-one (PubChem CID 67204701) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 6H-pyrido[3,2-d]pyrimidin-7-one.

Molecular Properties

Compound Name6H-pyrido[3,2-d]pyrimidin-7-one
PubChem CID67204701
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name6H-pyrido[3,2-d]pyrimidin-7-one
SMILESO=C1C=c2ncncc2=NC1
InChIInChI=1S/C7H5N3O/c11-5-1-6-7(9-2-5)3-8-4-10-6/h1,3-4H,2H2
InChIKeyUWABAWGNHPXGBQ-UHFFFAOYSA-N
XLogP-1.54
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 5-1.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrido[3,2-d]pyrimidin-7-one?
The IUPAC name of 6H-pyrido[3,2-d]pyrimidin-7-one (CID 67204701) is 6H-pyrido[3,2-d]pyrimidin-7-one.
What is the SMILES notation for 6H-pyrido[3,2-d]pyrimidin-7-one?
The canonical SMILES for 6H-pyrido[3,2-d]pyrimidin-7-one is O=C1C=c2ncncc2=NC1.
What is the InChIKey of 6H-pyrido[3,2-d]pyrimidin-7-one?
The InChIKey is UWABAWGNHPXGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-5-1-6-7(9-2-5)3-8-4-10-6/h1,3-4H,2H2.
What are the key properties of 6H-pyrido[3,2-d]pyrimidin-7-one?
6H-pyrido[3,2-d]pyrimidin-7-one has a molecular weight of 147.14 g/mol, XLogP of -1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrido[3,2-d]pyrimidin-7-one is sourced from PubChem (CID 67204701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).