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

C9H13N3O — CID 135782685

IUPAC2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCc1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C9H13N3O/c1-2-8-11-7-3-4-10-5-6(7)9(13)12-8/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyMADCNEOCROTZOQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.02
Rot. Bonds1

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

2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135782685) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID135782685
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCc1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C9H13N3O/c1-2-8-11-7-3-4-10-5-6(7)9(13)12-8/h10H,2-5H2,1H3,(H,11,12,13)
InChIKeyMADCNEOCROTZOQ-UHFFFAOYSA-N
XLogP-0.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 135782685) is 2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CCc1nc2c(c(=O)[nH]1)CNCC2.
What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MADCNEOCROTZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-8-11-7-3-4-10-5-6(7)9(13)12-8/h10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135782685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).