About 3H-pyrido[3,2-d]pyrimidin-4-one
3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 135703334) has the molecular formula C7H5N3O
and a molecular weight of 147.14 g/mol. Its IUPAC name is 3H-pyrido[3,2-d]pyrimidin-4-one.
Molecular Properties
| Compound Name | 3H-pyrido[3,2-d]pyrimidin-4-one |
|---|
| PubChem CID | 135703334 |
|---|
| Molecular Formula | C7H5N3O |
|---|
| Molecular Weight | 147.14 g/mol |
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| Exact Mass | 147.04 |
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| IUPAC Name | 3H-pyrido[3,2-d]pyrimidin-4-one |
|---|
| SMILES | O=c1[nH]cnc2cccnc12 |
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| InChI | InChI=1S/C7H5N3O/c11-7-6-5(9-4-10-7)2-1-3-8-6/h1-4H,(H,9,10,11) |
|---|
| InChIKey | FSKYZRCACCHDGR-UHFFFAOYSA-N |
|---|
| XLogP | 0.32 |
|---|
| TPSA | 58.64 Ų |
|---|
| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 11 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 147.14 |
| LogP ≤ 5 | 0.32 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3H-pyrido[3,2-d]pyrimidin-4-one (CID 135703334) is 3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3H-pyrido[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2cccnc12.
What is the InChIKey of 3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is FSKYZRCACCHDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-6-5(9-4-10-7)2-1-3-8-6/h1-4H,(H,9,10,11).
What are the key properties of 3H-pyrido[3,2-d]pyrimidin-4-one?
3H-pyrido[3,2-d]pyrimidin-4-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 3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135703334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).