8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen

C9H15N3O — CID 161326259

IUPAC8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen
SMILESCCc1n[nH]c(=O)c2c1NCCC2.[H][H]
InChIInChI=1S/C9H13N3O.H2/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7;/h10H,2-5H2,1H3,(H,12,13);1H
InChIKeyVKUQYUPKGMHQFL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.94
Rot. Bonds1

About 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen

8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen (PubChem CID 161326259) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen.

Molecular Properties

Compound Name8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen
PubChem CID161326259
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen
SMILESCCc1n[nH]c(=O)c2c1NCCC2.[H][H]
InChIInChI=1S/C9H13N3O.H2/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7;/h10H,2-5H2,1H3,(H,12,13);1H
InChIKeyVKUQYUPKGMHQFL-UHFFFAOYSA-N
XLogP0.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen?
The IUPAC name of 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen (CID 161326259) is 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen.
What is the SMILES notation for 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen?
The canonical SMILES for 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen is CCc1n[nH]c(=O)c2c1NCCC2.[H][H].
What is the InChIKey of 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen?
The InChIKey is VKUQYUPKGMHQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.H2/c1-2-7-8-6(4-3-5-10-8)9(13)12-11-7;/h10H,2-5H2,1H3,(H,12,13);1H.
What are the key properties of 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen?
8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen has a molecular weight of 181.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one;molecular hydrogen is sourced from PubChem (CID 161326259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).