6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one

C7H7N3O — CID 129257562

IUPAC6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one
SMILESO=C1NC=CC2N=CN=CC12
InChIInChI=1S/C7H7N3O/c11-7-5-3-8-4-10-6(5)1-2-9-7/h1-6H,(H,9,11)
InChIKeyXMZJUWHWEMWXJD-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.27
Rot. Bonds

About 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one

6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 129257562) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one
PubChem CID129257562
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one
SMILESO=C1NC=CC2N=CN=CC12
InChIInChI=1S/C7H7N3O/c11-7-5-3-8-4-10-6(5)1-2-9-7/h1-6H,(H,9,11)
InChIKeyXMZJUWHWEMWXJD-UHFFFAOYSA-N
XLogP-0.27
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one (CID 129257562) is 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one is O=C1NC=CC2N=CN=CC12.
What is the InChIKey of 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is XMZJUWHWEMWXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-5-3-8-4-10-6(5)1-2-9-7/h1-6H,(H,9,11).
What are the key properties of 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one?
6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 149.15 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8a-dihydro-4aH-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 129257562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).