tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate

C15H25N3O3 — CID 114394122

IUPACtert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
SMILESCCCN(C)c1cnn(CCC(=O)OC(C)(C)C)c(=O)c1
InChIInChI=1S/C15H25N3O3/c1-6-8-17(5)12-10-13(19)18(16-11-12)9-7-14(20)21-15(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeySGJWJIXVYRJCQC-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.82
Rot. Bonds6

About tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate

tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate (PubChem CID 114394122) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
PubChem CID114394122
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
SMILESCCCN(C)c1cnn(CCC(=O)OC(C)(C)C)c(=O)c1
InChIInChI=1S/C15H25N3O3/c1-6-8-17(5)12-10-13(19)18(16-11-12)9-7-14(20)21-15(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeySGJWJIXVYRJCQC-UHFFFAOYSA-N
XLogP1.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]propyl acetate
CID 28685385
methyl 3-[6-oxo-4-(1-pyrrolidinyl)-1(6H)-pyridazinyl]propanoate
CID 30852551
Tert-butyl 3-(4-methyl-6-oxopyridazin-1-yl)propanoate
CID 106548453
Tert-butyl 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]propanoate
CID 113579318
Ethyl 2-[[4-(dimethylamino)-6-oxopyridazin-1-yl]methyl]prop-2-enoate
CID 113579319
Methyl 3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylpropanoate
CID 113579320
Methyl 2-bromo-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 113579341
3-[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2,2-dimethylpropanoic acid
CID 113579342
Ethyl 3-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoate
CID 113579349
2-[[4-(Diethylamino)-6-oxopyridazin-1-yl]methyl]prop-2-enoic acid
CID 113579350
3-[4-(Diethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylpropanoic acid
CID 113579352
Ethyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 113579360

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate?
The IUPAC name of tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate (CID 114394122) is tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate?
The canonical SMILES for tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate is CCCN(C)c1cnn(CCC(=O)OC(C)(C)C)c(=O)c1.
What is the InChIKey of tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate?
The InChIKey is SGJWJIXVYRJCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-6-8-17(5)12-10-13(19)18(16-11-12)9-7-14(20)21-15(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate?
tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate has a molecular weight of 295.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate is sourced from PubChem (CID 114394122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).