6H-pyrido[4,3-d]pyrimidin-5-one

C7H5N3O — CID 12624212

IUPAC6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2ncncc12
InChIInChI=1S/C7H5N3O/c11-7-5-3-8-4-10-6(5)1-2-9-7/h1-4H,(H,9,11)
InChIKeyCSBPQHGADOHBPJ-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.32
Rot. Bonds

About 6H-pyrido[4,3-d]pyrimidin-5-one

6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 12624212) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID12624212
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name6H-pyrido[4,3-d]pyrimidin-5-one
SMILESO=c1[nH]ccc2ncncc12
InChIInChI=1S/C7H5N3O/c11-7-5-3-8-4-10-6(5)1-2-9-7/h1-4H,(H,9,11)
InChIKeyCSBPQHGADOHBPJ-UHFFFAOYSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6H-pyrido[4,3-d]pyrimidin-5-one (CID 12624212) is 6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6H-pyrido[4,3-d]pyrimidin-5-one is O=c1[nH]ccc2ncncc12.
What is the InChIKey of 6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is CSBPQHGADOHBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-5-3-8-4-10-6(5)1-2-9-7/h1-4H,(H,9,11).
What are the key properties of 6H-pyrido[4,3-d]pyrimidin-5-one?
6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 147.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 12624212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).