4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

C11H17N5O — CID 117101883

IUPAC4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESO=c1nc(N2CCNCC2)c2c([nH]1)CNCC2
InChIInChI=1S/C11H17N5O/c17-11-14-9-7-13-2-1-8(9)10(15-11)16-5-3-12-4-6-16/h12-13H,1-7H2,(H,14,15,17)
InChIKeyYAZVKXUTPJMXEQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP-1.17
Rot. Bonds1

About 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 117101883) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID117101883
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESO=c1nc(N2CCNCC2)c2c([nH]1)CNCC2
InChIInChI=1S/C11H17N5O/c17-11-14-9-7-13-2-1-8(9)10(15-11)16-5-3-12-4-6-16/h12-13H,1-7H2,(H,14,15,17)
InChIKeyYAZVKXUTPJMXEQ-UHFFFAOYSA-N
XLogP-1.17
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 117101883) is 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is O=c1nc(N2CCNCC2)c2c([nH]1)CNCC2.
What is the InChIKey of 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is YAZVKXUTPJMXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c17-11-14-9-7-13-2-1-8(9)10(15-11)16-5-3-12-4-6-16/h12-13H,1-7H2,(H,14,15,17).
What are the key properties of 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 235.29 g/mol, XLogP of -1.17, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 117101883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).