tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate

C13H20N4O2 — CID 163947882

IUPACtert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](c2ccc(N)nn2)C1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-7-6-9(8-17)10-4-5-11(14)16-15-10/h4-5,9H,6-8H2,1-3H3,(H2,14,16)/t9-/m1/s1
InChIKeyRWSZZCWIEDUFKH-SECBINFHSA-N
MW264.33 g/mol
LogP1.78
Rot. Bonds1

About tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate

tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate (PubChem CID 163947882) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
PubChem CID163947882
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](c2ccc(N)nn2)C1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-7-6-9(8-17)10-4-5-11(14)16-15-10/h4-5,9H,6-8H2,1-3H3,(H2,14,16)/t9-/m1/s1
InChIKeyRWSZZCWIEDUFKH-SECBINFHSA-N
XLogP1.78
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate 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

tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-3-carboxylic acid
CID 115052964
tert-butyl (3S)-3-(5-bromo-2-pyridinyl)pyrrolidine-1-carboxylate
CID 124704146
tert-butyl (3R)-3-pyridin-4-ylpyrrolidine-1-carboxylate
CID 86336206
tert-butyl 3-(6-amino-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 138571293
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
CID 168895574
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
tert-butyl (3S,4S)-3-(6-aminopyridazin-3-yl)oxy-4-fluoropiperidine-1-carboxylate
CID 140876664
tert-butyl 3-(6-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 146204566
tert-butyl 4-(5-amino-2-pyridinyl)piperidine-1-carboxylate;oxalic acid
CID 74892502
tert-butyl 3-(5-amino-6-methoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170118913

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate (CID 163947882) is tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(N)nn2)C1.
What is the InChIKey of tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is RWSZZCWIEDUFKH-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-7-6-9(8-17)10-4-5-11(14)16-15-10/h4-5,9H,6-8H2,1-3H3,(H2,14,16)/t9-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 163947882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).