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

C15H26N4O — CID 103073095

IUPAC5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C15H26N4O/c1-6-7-18(5)14-8-15(20)19(17-10-14)11-13(4)9-16-12(2)3/h8,10,12,16H,4,6-7,9,11H2,1-3,5H3
InChIKeyBZPLVOPZFGKMSP-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.64
Rot. Bonds8

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

5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (PubChem CID 103073095) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
PubChem CID103073095
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N(C)CCC)cc1=O
InChIInChI=1S/C15H26N4O/c1-6-7-18(5)14-8-15(20)19(17-10-14)11-13(4)9-16-12(2)3/h8,10,12,16H,4,6-7,9,11H2,1-3,5H3
InChIKeyBZPLVOPZFGKMSP-UHFFFAOYSA-N
XLogP1.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one (CID 103073095) is 5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is C=C(CNC(C)C)Cn1ncc(N(C)CCC)cc1=O.
What is the InChIKey of 5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
The InChIKey is BZPLVOPZFGKMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-6-7-18(5)14-8-15(20)19(17-10-14)11-13(4)9-16-12(2)3/h8,10,12,16H,4,6-7,9,11H2,1-3,5H3.
What are the key properties of 5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one?
5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).