tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine

C53H87N19O4Si — CID 161246636

IUPACtert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)nn2)CC12CC2.CC(C)(C)[Si](C)(C)OC1CC2(C1)CN(c1ccc(N)nn1)C2.CN1CCN(c2ccc(N)nn2)CC1.Nc1ccc(N2CCC(N3CCOCC3)CC2)nn1
InChIInChI=1S/C16H28N4OSi.C15H23N5O2.C13H21N5O.C9H15N5/c1-15(2,3)22(4,5)21-12-8-16(9-12)10-20(11-16)14-7-6-13(17)18-19-14;1-14(2,3)22-13(21)20-9-8-19(10-15(20)6-7-15)12-5-4-11(16)17-18-12;14-12-1-2-13(16-15-12)18-5-3-11(4-6-18)17-7-9-19-10-8-17;1-13-4-6-14(7-5-13)9-3-2-8(10)11-12-9/h6-7,12H,8-11H2,1-5H3,(H2,17,18);4-5H,6-10H2,1-3H3,(H2,16,17);1-2,11H,3-10H2,(H2,14,15);2-3H,4-7H2,1H3,(H2,10,11)
InChIKeyVASKVUFJIIQJAR-UHFFFAOYSA-N
MW1082.49 g/mol
LogP4.87
Rot. Bonds7

About tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine

tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine (PubChem CID 161246636) has the molecular formula C53H87N19O4Si and a molecular weight of 1082.49 g/mol. Its IUPAC name is tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine.

Molecular Properties

Compound Nametert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine
PubChem CID161246636
Molecular FormulaC53H87N19O4Si
Molecular Weight1082.49 g/mol
Exact Mass1081.70
IUPAC Nametert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(N)nn2)CC12CC2.CC(C)(C)[Si](C)(C)OC1CC2(C1)CN(c1ccc(N)nn1)C2.CN1CCN(c2ccc(N)nn2)CC1.Nc1ccc(N2CCC(N3CCOCC3)CC2)nn1
InChIInChI=1S/C16H28N4OSi.C15H23N5O2.C13H21N5O.C9H15N5/c1-15(2,3)22(4,5)21-12-8-16(9-12)10-20(11-16)14-7-6-13(17)18-19-14;1-14(2,3)22-13(21)20-9-8-19(10-15(20)6-7-15)12-5-4-11(16)17-18-12;14-12-1-2-13(16-15-12)18-5-3-11(4-6-18)17-7-9-19-10-8-17;1-13-4-6-14(7-5-13)9-3-2-8(10)11-12-9/h6-7,12H,8-11H2,1-5H3,(H2,17,18);4-5H,6-10H2,1-3H3,(H2,16,17);1-2,11H,3-10H2,(H2,14,15);2-3H,4-7H2,1H3,(H2,10,11)
InChIKeyVASKVUFJIIQJAR-UHFFFAOYSA-N
XLogP4.87
TPSA274.64 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.49
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]pyridazin-3-amine
CID 140876627
6-[3-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]pyridazin-3-amine
CID 140876676
bis(tert-butyl N-[(3S,4R)-1-(6-aminopyridazin-3-yl)-3-fluoropiperidin-4-yl]-N-methylcarbamate);6-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-fluoropiperidin-1-yl]pyridazin-3-amine;6-(4-cyclobutylpiperazin-1-yl)pyridazin-3-amine
CID 158430577
6-(4-methylpiperazin-1-yl)pyridazin-3-amine;hydrochloride
CID 127262604
tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895164
tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 176665673
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291
tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 138674727
6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpiperidin-1-yl]pyridazin-3-amine
CID 140876652
tert-butyl 3'-morpholin-4-ylspiro[8-azabicyclo[3.2.1]octane-3,1'-cyclobutane]-8-carboxylate
CID 175929655
tert-butyl 6-[3-(2,2-dimethyl-4-morpholin-4-ylpiperidin-1-yl)-5-methylpyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166543539
4-[(4aS,6S,8aR)-8a-(methoxymethyl)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-6-yl]morpholine
CID 133128451

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine?
The IUPAC name of tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine (CID 161246636) is tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine.
What is the SMILES notation for tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine?
The canonical SMILES for tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine is CC(C)(C)OC(=O)N1CCN(c2ccc(N)nn2)CC12CC2.CC(C)(C)[Si](C)(C)OC1CC2(C1)CN(c1ccc(N)nn1)C2.CN1CCN(c2ccc(N)nn2)CC1.Nc1ccc(N2CCC(N3CCOCC3)CC2)nn1.
What is the InChIKey of tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine?
The InChIKey is VASKVUFJIIQJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OSi.C15H23N5O2.C13H21N5O.C9H15N5/c1-15(2,3)22(4,5)21-12-8-16(9-12)10-20(11-16)14-7-6-13(17)18-19-14;1-14(2,3)22-13(21)20-9-8-19(10-15(20)6-7-15)12-5-4-11(16)17-18-12;14-12-1-2-13(16-15-12)18-5-3-11(4-6-18)17-7-9-19-10-8-17;1-13-4-6-14(7-5-13)9-3-2-8(10)11-12-9/h6-7,12H,8-11H2,1-5H3,(H2,17,18);4-5H,6-10H2,1-3H3,(H2,16,17);1-2,11H,3-10H2,(H2,14,15);2-3H,4-7H2,1H3,(H2,10,11).
What are the key properties of tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine?
tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine has a molecular weight of 1082.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(6-aminopyridazin-3-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate;6-[6-[tert-butyl(dimethyl)silyl]oxy-2-azaspiro[3.3]heptan-2-yl]pyridazin-3-amine;6-(4-methylpiperazin-1-yl)pyridazin-3-amine;6-(4-morpholin-4-ylpiperidin-1-yl)pyridazin-3-amine is sourced from PubChem (CID 161246636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).