6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

C14H15N5O2 — CID 139017720

IUPAC6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C1CCC2CN(c3cc4c(=O)[nH]cnc4cn3)CCN12
InChIInChI=1S/C14H15N5O2/c20-13-2-1-9-7-18(3-4-19(9)13)12-5-10-11(6-15-12)16-8-17-14(10)21/h5-6,8-9H,1-4,7H2,(H,16,17,21)
InChIKeyTYEWBPQWHIWLGE-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.13
Rot. Bonds1

About 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one

6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 139017720) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID139017720
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=C1CCC2CN(c3cc4c(=O)[nH]cnc4cn3)CCN12
InChIInChI=1S/C14H15N5O2/c20-13-2-1-9-7-18(3-4-19(9)13)12-5-10-11(6-15-12)16-8-17-14(10)21/h5-6,8-9H,1-4,7H2,(H,16,17,21)
InChIKeyTYEWBPQWHIWLGE-UHFFFAOYSA-N
XLogP0.13
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one (CID 139017720) is 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is O=C1CCC2CN(c3cc4c(=O)[nH]cnc4cn3)CCN12.
What is the InChIKey of 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is TYEWBPQWHIWLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-13-2-1-9-7-18(3-4-19(9)13)12-5-10-11(6-15-12)16-8-17-14(10)21/h5-6,8-9H,1-4,7H2,(H,16,17,21).
What are the key properties of 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one?
6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 285.31 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 139017720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).