tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine

C17H21Cl3N6O2 — CID 87578550

IUPACtert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
SMILESCC(C)(C)OC(=O)N1CCN(c2cncc(Cl)n2)CC1.Clc1cncc(Cl)n1
InChIInChI=1S/C13H19ClN4O2.C4H2Cl2N2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-8-10(14)16-11;5-3-1-7-2-4(6)8-3/h8-9H,4-7H2,1-3H3;1-2H
InChIKeyUORPQLFYIPTWAX-UHFFFAOYSA-N
MW447.75 g/mol
LogP3.97
Rot. Bonds1

About tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine

tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine (PubChem CID 87578550) has the molecular formula C17H21Cl3N6O2 and a molecular weight of 447.75 g/mol. Its IUPAC name is tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine.

Molecular Properties

Compound Nametert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
PubChem CID87578550
Molecular FormulaC17H21Cl3N6O2
Molecular Weight447.75 g/mol
Exact Mass446.08
IUPAC Nametert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
SMILESCC(C)(C)OC(=O)N1CCN(c2cncc(Cl)n2)CC1.Clc1cncc(Cl)n1
InChIInChI=1S/C13H19ClN4O2.C4H2Cl2N2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-8-10(14)16-11;5-3-1-7-2-4(6)8-3/h8-9H,4-7H2,1-3H3;1-2H
InChIKeyUORPQLFYIPTWAX-UHFFFAOYSA-N
XLogP3.97
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine 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-(6-chloropyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;2,6-dichloropyrazine;methane
CID 158096472
tert-butyl 4-(6-chloro-4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229586
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 166460288
tert-butyl 3-(6-chloropyrazin-2-yl)-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CID 87621908
tert-butyl 4-[6-(6-isocyano-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 140936839
tert-butyl 4-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 88860765
tert-butyl 4-(6-iodopyridazin-3-yl)piperazine-1-carboxylate;3-chloro-6-iodopyridazine
CID 161346110
tert-butyl 4-(4-chloro-5-cyano-3-pyridinyl)piperazine-1-carboxylate
CID 162725339
tert-butyl 4-[5-(trifluoromethyl)pyridazin-3-yl]piperazine-1-carboxylate;3-chloro-5-(trifluoromethyl)pyridazine
CID 159943252
tert-butyl 4-carbamoyl-4-(6-chloropyrazin-2-yl)piperidine-1-carboxylate
CID 167995710
tert-butyl 4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-chloropyrimidin-4-yl]piperazine-1-carboxylate
CID 177318011

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine?
The IUPAC name of tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine (CID 87578550) is tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine.
What is the SMILES notation for tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine?
The canonical SMILES for tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine is CC(C)(C)OC(=O)N1CCN(c2cncc(Cl)n2)CC1.Clc1cncc(Cl)n1.
What is the InChIKey of tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine?
The InChIKey is UORPQLFYIPTWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2.C4H2Cl2N2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-8-10(14)16-11;5-3-1-7-2-4(6)8-3/h8-9H,4-7H2,1-3H3;1-2H.
What are the key properties of tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine?
tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine has a molecular weight of 447.75 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine is sourced from PubChem (CID 87578550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).