tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate

C18H27N7O2 — CID 170625025

IUPACtert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate
SMILESCc1cc(-n2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)n2)c(N)nn1
InChIInChI=1S/C18H27N7O2/c1-12-10-14(16(19)21-20-12)25-11-15(13(2)22-25)23-6-8-24(9-7-23)17(26)27-18(3,4)5/h10-11H,6-9H2,1-5H3,(H2,19,21)
InChIKeyUKSKZPJPDRUOLE-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate

tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate (PubChem CID 170625025) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate
PubChem CID170625025
Molecular FormulaC18H27N7O2
Molecular Weight373.46 g/mol
Exact Mass373.22
IUPAC Nametert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate
SMILESCc1cc(-n2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)n2)c(N)nn1
InChIInChI=1S/C18H27N7O2/c1-12-10-14(16(19)21-20-12)25-11-15(13(2)22-25)23-6-8-24(9-7-23)17(26)27-18(3,4)5/h10-11H,6-9H2,1-5H3,(H2,19,21)
InChIKeyUKSKZPJPDRUOLE-UHFFFAOYSA-N
XLogP1.92
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-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-[1-(3-amino-6-chloropyridazin-4-yl)pyrazol-4-yl]piperazine-1-carboxylate
CID 170625882
tert-butyl 4-(5,6-dimethylpyridazin-3-yl)piperazine-1-carboxylate;ethane
CID 143735501
tert-butyl 4-(4-amino-5-fluoro-2-methylphenyl)piperazine-1-carboxylate
CID 86725408
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 93206779
tert-butyl 4-(4-amino-2,3-dimethylphenyl)piperazine-1-carboxylate
CID 70581857
tert-butyl 4-[4-amino-5-methyl-2-(1-methylpyrazol-4-yl)phenyl]piperazine-1-carboxylate
CID 165124623
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 4-(3-amino-2-methylphenyl)piperazine-1-carboxylate
CID 114518325
tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 104933395
tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 165132372
[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxycyclobutyl] 4-(3-amino-6-chloropyridazin-4-yl)piperazine-1-carboxylate
CID 168903628
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate (CID 170625025) is tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate is Cc1cc(-n2cc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C)n2)c(N)nn1.
What is the InChIKey of tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate?
The InChIKey is UKSKZPJPDRUOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-12-10-14(16(19)21-20-12)25-11-15(13(2)22-25)23-6-8-24(9-7-23)17(26)27-18(3,4)5/h10-11H,6-9H2,1-5H3,(H2,19,21).
What are the key properties of tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(3-amino-6-methylpyridazin-4-yl)-3-methylpyrazol-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 170625025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).