2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one

C16H26N4O — CID 103073045

IUPAC2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC=C(CNC(C)(C)C)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C16H26N4O/c1-13(10-17-16(2,3)4)12-20-15(21)9-14(11-18-20)19-7-5-6-8-19/h9,11,17H,1,5-8,10,12H2,2-4H3
InChIKeyOOTLCAFLJKSKTO-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.79
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 103073045) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID103073045
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC=C(CNC(C)(C)C)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C16H26N4O/c1-13(10-17-16(2,3)4)12-20-15(21)9-14(11-18-20)19-7-5-6-8-19/h9,11,17H,1,5-8,10,12H2,2-4H3
InChIKeyOOTLCAFLJKSKTO-UHFFFAOYSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-pyrrolidinyl)propanamide
CID 70721532
1,6-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 70734562
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103366652
5-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099
N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone
CID 171811048
5-(4-methyl-1,4-diazepan-1-yl)-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-one
CID 29022847
5-(1-piperazinyl)-2-(3-pyrrolidinylmethyl)-3(2H)-pyridazinone bis(trifluoroacetate)
CID 45218638
5-(4-methyl-1,4-diazepan-1-yl)-2-(3-pyrrolidinylmethyl)-3(2H)-pyridazinone
CID 45241456

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 103073045) is 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one is C=C(CNC(C)(C)C)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is OOTLCAFLJKSKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(10-17-16(2,3)4)12-20-15(21)9-14(11-18-20)19-7-5-6-8-19/h9,11,17H,1,5-8,10,12H2,2-4H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 290.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 103073045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).