4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

C16H23N3O3 — CID 142297199

IUPAC4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESC=C(CC(C)C)Oc1c2n(ncc1=O)CCN(CCC)C2=O
InChIInChI=1S/C16H23N3O3/c1-5-6-18-7-8-19-14(16(18)21)15(13(20)10-17-19)22-12(4)9-11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyLGTNYKRIWBDXBL-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.05
Rot. Bonds6

About 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 142297199) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

Compound Name4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
PubChem CID142297199
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESC=C(CC(C)C)Oc1c2n(ncc1=O)CCN(CCC)C2=O
InChIInChI=1S/C16H23N3O3/c1-5-6-18-7-8-19-14(16(18)21)15(13(20)10-17-19)22-12(4)9-11(2)3/h10-11H,4-9H2,1-3H3
InChIKeyLGTNYKRIWBDXBL-UHFFFAOYSA-N
XLogP2.05
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The IUPAC name of 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (CID 142297199) is 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.
What is the SMILES notation for 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The canonical SMILES for 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is C=C(CC(C)C)Oc1c2n(ncc1=O)CCN(CCC)C2=O.
What is the InChIKey of 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The InChIKey is LGTNYKRIWBDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-6-18-7-8-19-14(16(18)21)15(13(20)10-17-19)22-12(4)9-11(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 305.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpent-1-en-2-yloxy)-6-propyl-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 142297199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).