5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one

C15H26N4O2 — CID 103073074

IUPAC5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C15H26N4O2/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18(4)6-7-21-5/h8,10,12,16H,3,6-7,9,11H2,1-2,4-5H3
InChIKeyHFHBCTMYTLHFAD-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.88
Rot. Bonds9

About 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one

5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (PubChem CID 103073074) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
PubChem CID103073074
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C15H26N4O2/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18(4)6-7-21-5/h8,10,12,16H,3,6-7,9,11H2,1-2,4-5H3
InChIKeyHFHBCTMYTLHFAD-UHFFFAOYSA-N
XLogP0.88
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (CID 103073074) is 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is C=C(CNC(C)C)Cn1ncc(N(C)CCOC)cc1=O.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The InChIKey is HFHBCTMYTLHFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18(4)6-7-21-5/h8,10,12,16H,3,6-7,9,11H2,1-2,4-5H3.
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 0.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).