tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate

C15H25N5O2 — CID 168895164

IUPACtert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ccc(N)nn2)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N5O2/c1-10-8-19(13-7-6-12(16)17-18-13)9-11(2)20(10)14(21)22-15(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,16,17)/t10-,11+
InChIKeyQMXXUPZRMQEVBV-PHIMTYICSA-N
MW307.40 g/mol
LogP1.89
Rot. Bonds1

About tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate

tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 168895164) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
PubChem CID168895164
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Nametert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ccc(N)nn2)C[C@H](C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N5O2/c1-10-8-19(13-7-6-12(16)17-18-13)9-11(2)20(10)14(21)22-15(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,16,17)/t10-,11+
InChIKeyQMXXUPZRMQEVBV-PHIMTYICSA-N
XLogP1.89
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (2S,6R)-4-(6-amino-3-pyridinyl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895169
tert-butyl 4-(5-amino-1,3,4-thiadiazol-2-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 175481460
tert-butyl 4-(2-amino-1,3-thiazol-5-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 170553810
tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 129258263
tert-butyl 4-(4-amino-3-hydroxyphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 156708851
tert-butyl (2S,6R)-4-[4-(aminomethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168933658
tert-butyl (2S,6R)-2,6-dimethyl-4-(2-methylpyrimidin-5-yl)piperazine-1-carboxylate
CID 156524124
tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate
CID 129384832
tert-butyl (2R,6S)-2,6-dimethyl-4-(5-phenylmethoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 167450386
tert-butyl (2R,6S)-4-(2-formyl-6-oxo-1H-pyrimidin-4-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 162375289
tert-butyl 4-(8-bromo-2,3-dimethylquinoxalin-5-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 175586826
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate (CID 168895164) is tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate is C[C@@H]1CN(c2ccc(N)nn2)C[C@H](C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is QMXXUPZRMQEVBV-PHIMTYICSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-10-8-19(13-7-6-12(16)17-18-13)9-11(2)20(10)14(21)22-15(3,4)5/h6-7,10-11H,8-9H2,1-5H3,(H2,16,17)/t10-,11+.
What are the key properties of tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate?
tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 307.40 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 168895164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).