8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C15H18N4O — CID 59751897

IUPAC8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCNc1cccc(-c2n[nH]c(=O)c3c2NCCC3)c1
InChIInChI=1S/C15H18N4O/c1-2-16-11-6-3-5-10(9-11)13-14-12(7-4-8-17-14)15(20)19-18-13/h3,5-6,9,16-17H,2,4,7-8H2,1H3,(H,19,20)
InChIKeyBJPGORCJAQFUAK-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.23
Rot. Bonds3

About 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 59751897) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID59751897
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCNc1cccc(-c2n[nH]c(=O)c3c2NCCC3)c1
InChIInChI=1S/C15H18N4O/c1-2-16-11-6-3-5-10(9-11)13-14-12(7-4-8-17-14)15(20)19-18-13/h3,5-6,9,16-17H,2,4,7-8H2,1H3,(H,19,20)
InChIKeyBJPGORCJAQFUAK-UHFFFAOYSA-N
XLogP2.23
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 59751897) is 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is CCNc1cccc(-c2n[nH]c(=O)c3c2NCCC3)c1.
What is the InChIKey of 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is BJPGORCJAQFUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-16-11-6-3-5-10(9-11)13-14-12(7-4-8-17-14)15(20)19-18-13/h3,5-6,9,16-17H,2,4,7-8H2,1H3,(H,19,20).
What are the key properties of 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 270.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(ethylamino)phenyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 59751897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).