7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone

C12H11N5O — CID 72719376

IUPAC7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)N1CCc2ncncc2C1
InChIInChI=1S/C12H11N5O/c18-12(11-6-13-2-3-15-11)17-4-1-10-9(7-17)5-14-8-16-10/h2-3,5-6,8H,1,4,7H2
InChIKeyXNZNFFURKNTCJW-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.47
Rot. Bonds1

About 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone

7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone (PubChem CID 72719376) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone.

Molecular Properties

Compound Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone
PubChem CID72719376
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)N1CCc2ncncc2C1
InChIInChI=1S/C12H11N5O/c18-12(11-6-13-2-3-15-11)17-4-1-10-9(7-17)5-14-8-16-10/h2-3,5-6,8H,1,4,7H2
InChIKeyXNZNFFURKNTCJW-UHFFFAOYSA-N
XLogP0.47
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone?
The IUPAC name of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone (CID 72719376) is 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone.
What is the SMILES notation for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone?
The canonical SMILES for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone is O=C(c1cnccn1)N1CCc2ncncc2C1.
What is the InChIKey of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone?
The InChIKey is XNZNFFURKNTCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c18-12(11-6-13-2-3-15-11)17-4-1-10-9(7-17)5-14-8-16-10/h2-3,5-6,8H,1,4,7H2.
What are the key properties of 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone?
7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone has a molecular weight of 241.25 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl(pyrazin-2-yl)methanone is sourced from PubChem (CID 72719376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).