6H-pyrido[4,3-d]pyrimidin-7-one

C7H5N3O — CID 54344214

IUPAC6H-pyrido[4,3-d]pyrimidin-7-one
SMILESO=c1cc2ncncc2c[nH]1
InChIInChI=1S/C7H5N3O/c11-7-1-6-5(3-9-7)2-8-4-10-6/h1-4H,(H,9,11)
InChIKeyUBDBWHPEIGWPQM-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.32
Rot. Bonds

About 6H-pyrido[4,3-d]pyrimidin-7-one

6H-pyrido[4,3-d]pyrimidin-7-one (PubChem CID 54344214) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 6H-pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6H-pyrido[4,3-d]pyrimidin-7-one
PubChem CID54344214
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name6H-pyrido[4,3-d]pyrimidin-7-one
SMILESO=c1cc2ncncc2c[nH]1
InChIInChI=1S/C7H5N3O/c11-7-1-6-5(3-9-7)2-8-4-10-6/h1-4H,(H,9,11)
InChIKeyUBDBWHPEIGWPQM-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-7-one?
The IUPAC name of 6H-pyrido[4,3-d]pyrimidin-7-one (CID 54344214) is 6H-pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6H-pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6H-pyrido[4,3-d]pyrimidin-7-one is O=c1cc2ncncc2c[nH]1.
What is the InChIKey of 6H-pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is UBDBWHPEIGWPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-1-6-5(3-9-7)2-8-4-10-6/h1-4H,(H,9,11).
What are the key properties of 6H-pyrido[4,3-d]pyrimidin-7-one?
6H-pyrido[4,3-d]pyrimidin-7-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-7-one is sourced from PubChem (CID 54344214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).