tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate

C13H20N4O2 — CID 122163297

IUPACtert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(N)nn1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-4-5-10(17)9-6-7-11(14)16-15-9/h6-7,10H,4-5,8H2,1-3H3,(H2,14,16)
InChIKeyRXRZINLPSCTPIQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.13
Rot. Bonds1

About tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate

tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate (PubChem CID 122163297) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
PubChem CID122163297
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Nametert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1c1ccc(N)nn1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-4-5-10(17)9-6-7-11(14)16-15-9/h6-7,10H,4-5,8H2,1-3H3,(H2,14,16)
InChIKeyRXRZINLPSCTPIQ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-(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 4-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 89739938
tert-butyl N-[(6-aminopyridazin-3-yl)methyl]carbamate
CID 125512843
tert-butyl (3R)-3-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidine-1-carboxylate
CID 68027532
Tert-butyl 3-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidine-1-carboxylate
CID 77395553
tert-butyl N-[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]carbamate
CID 153395203
tert-butyl N-[(3S)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl]carbamate
CID 133420459
Tert-butyl 2-(5-amino-1H-pyrazol-3-YL)piperidine-1-carboxylate
CID 49761278
Tert-butyl 4-hydrazinyl-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene-12-carboxylate
CID 56632438
(R)-Tert-butyl 2-(5-amino-1H-pyrazol-3-YL)piperidine-1-carboxylate
CID 58029440
(S)-tert-Butyl2-(5-amino-1H-pyrazol-3-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl 4-(6-hydrazinylpyridazin-3-yl)-5,6-dihydropyridine-1(2H)-carboxylate
CID 67339970
tert-butyl (3R)-3-[(6-cyanopyridazin-3-yl)-methylamino]pyrrolidine-1-carboxylate
CID 68027533

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate (CID 122163297) is tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1c1ccc(N)nn1.
What is the InChIKey of tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate?
The InChIKey is RXRZINLPSCTPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)19-12(18)17-8-4-5-10(17)9-6-7-11(14)16-15-9/h6-7,10H,4-5,8H2,1-3H3,(H2,14,16).
What are the key properties of tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate?
tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 122163297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).