8H-pyrido[4,3-d]pyrimidin-7-one

C7H5N3O — CID 67528187

IUPAC8H-pyrido[4,3-d]pyrimidin-7-one
SMILESO=C1Cc2ncncc2C=N1
InChIInChI=1S/C7H5N3O/c11-7-1-6-5(3-9-7)2-8-4-10-6/h2-4H,1H2
InChIKeyOMUVXMXOFWTDHX-UHFFFAOYSA-N
MW147.14 g/mol
LogP-0.02
Rot. Bonds

About 8H-pyrido[4,3-d]pyrimidin-7-one

8H-pyrido[4,3-d]pyrimidin-7-one (PubChem CID 67528187) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 8H-pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8H-pyrido[4,3-d]pyrimidin-7-one
PubChem CID67528187
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name8H-pyrido[4,3-d]pyrimidin-7-one
SMILESO=C1Cc2ncncc2C=N1
InChIInChI=1S/C7H5N3O/c11-7-1-6-5(3-9-7)2-8-4-10-6/h2-4H,1H2
InChIKeyOMUVXMXOFWTDHX-UHFFFAOYSA-N
XLogP-0.02
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8H-pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 8H-pyrido[4,3-d]pyrimidin-7-one (CID 67528187) is 8H-pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 8H-pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 8H-pyrido[4,3-d]pyrimidin-7-one is O=C1Cc2ncncc2C=N1.
What is the InChIKey of 8H-pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is OMUVXMXOFWTDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-1-6-5(3-9-7)2-8-4-10-6/h2-4H,1H2.
What are the key properties of 8H-pyrido[4,3-d]pyrimidin-7-one?
8H-pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 147.14 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 67528187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).