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

C10H16N4O — CID 59751889

IUPAC8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCNCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C10H16N4O/c1-2-11-6-8-9-7(4-3-5-12-9)10(15)14-13-8/h11-12H,2-6H2,1H3,(H,14,15)
InChIKeyFOUPENXZTHSSNR-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.24
Rot. Bonds3

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

8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 59751889) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID59751889
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESCCNCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C10H16N4O/c1-2-11-6-8-9-7(4-3-5-12-9)10(15)14-13-8/h11-12H,2-6H2,1H3,(H,14,15)
InChIKeyFOUPENXZTHSSNR-UHFFFAOYSA-N
XLogP0.24
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 59751889) is 8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is CCNCc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of 8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is FOUPENXZTHSSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-11-6-8-9-7(4-3-5-12-9)10(15)14-13-8/h11-12H,2-6H2,1H3,(H,14,15).
What are the key properties of 8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 208.26 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylaminomethyl)-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 59751889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).