2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C12H15N5O — CID 63253872

IUPAC2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCn1cccn1)CCNC2
InChIInChI=1S/C12H15N5O/c18-12-8-10-9-13-4-2-11(10)15-17(12)7-6-16-5-1-3-14-16/h1,3,5,8,13H,2,4,6-7,9H2
InChIKeyGGYBDILPCAMZOS-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.21
Rot. Bonds3

About 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 63253872) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID63253872
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCn1cccn1)CCNC2
InChIInChI=1S/C12H15N5O/c18-12-8-10-9-13-4-2-11(10)15-17(12)7-6-16-5-1-3-14-16/h1,3,5,8,13H,2,4,6-7,9H2
InChIKeyGGYBDILPCAMZOS-UHFFFAOYSA-N
XLogP-0.21
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 63253872) is 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CCn1cccn1)CCNC2.
What is the InChIKey of 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is GGYBDILPCAMZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c18-12-8-10-9-13-4-2-11(10)15-17(12)7-6-16-5-1-3-14-16/h1,3,5,8,13H,2,4,6-7,9H2.
What are the key properties of 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 245.29 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 63253872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).