tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate

C17H24N6O2 — CID 155390752

IUPACtert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(-c3ccn[nH]3)nnc2N)CC1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)23-8-5-11(6-9-23)12-10-14(21-22-15(12)18)13-4-7-19-20-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyBJACGMBEYJKJAR-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.56
Rot. Bonds2

About tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate (PubChem CID 155390752) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate
PubChem CID155390752
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Nametert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(-c3ccn[nH]3)nnc2N)CC1
InChIInChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)23-8-5-11(6-9-23)12-10-14(21-22-15(12)18)13-4-7-19-20-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H2,18,22)(H,19,20)
InChIKeyBJACGMBEYJKJAR-UHFFFAOYSA-N
XLogP2.56
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 4-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxylate
CID 75481386
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 4-[3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 66889503
tert-butyl 4-acetylpiperidine-1-carboxylate;4-(1H-pyrazol-5-yl)piperidine-1-carboxylic acid
CID 139510752
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid
CID 137045885
2-[6-amino-5-(2-cyclobutylethynyl)pyridazin-3-yl]phenol;tert-butyl 4-nitrosopiperidine-1-carboxylate
CID 168901250
tert-butyl 4-[4-amino-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 90028532
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate (CID 155390752) is tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(-c3ccn[nH]3)nnc2N)CC1.
What is the InChIKey of tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate?
The InChIKey is BJACGMBEYJKJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-17(2,3)25-16(24)23-8-5-11(6-9-23)12-10-14(21-22-15(12)18)13-4-7-19-20-13/h4,7,10-11H,5-6,8-9H2,1-3H3,(H2,18,22)(H,19,20).
What are the key properties of tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate has a molecular weight of 344.42 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-amino-6-(1H-pyrazol-5-yl)pyridazin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155390752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).