2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C12H13N5O — CID 63253727

IUPAC2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ncccn1)CCNC2
InChIInChI=1S/C12H13N5O/c18-12-6-9-7-13-5-2-10(9)16-17(12)8-11-14-3-1-4-15-11/h1,3-4,6,13H,2,5,7-8H2
InChIKeyZVUPFJQYCGXBLD-UHFFFAOYSA-N
MW243.27 g/mol
LogP-0.27
Rot. Bonds2

About 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 63253727) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID63253727
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ncccn1)CCNC2
InChIInChI=1S/C12H13N5O/c18-12-6-9-7-13-5-2-10(9)16-17(12)8-11-14-3-1-4-15-11/h1,3-4,6,13H,2,5,7-8H2
InChIKeyZVUPFJQYCGXBLD-UHFFFAOYSA-N
XLogP-0.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 63253727) is 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(nn1Cc1ncccn1)CCNC2.
What is the InChIKey of 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is ZVUPFJQYCGXBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c18-12-6-9-7-13-5-2-10(9)16-17(12)8-11-14-3-1-4-15-11/h1,3-4,6,13H,2,5,7-8H2.
What are the key properties of 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 243.27 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 63253727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).