tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate

C16H23BrN6O2 — CID 168885145

IUPACtert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2nc(Br)cn3ncnc23)CC1
InChIInChI=1S/C16H23BrN6O2/c1-16(2,3)25-15(24)18-8-11-4-6-22(7-5-11)14-13-19-10-20-23(13)9-12(17)21-14/h9-11H,4-8H2,1-3H3,(H,18,24)
InChIKeyOBGKVTBFCHLXRX-UHFFFAOYSA-N
MW411.30 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 168885145) has the molecular formula C16H23BrN6O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate
PubChem CID168885145
Molecular FormulaC16H23BrN6O2
Molecular Weight411.30 g/mol
Exact Mass410.11
IUPAC Nametert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2nc(Br)cn3ncnc23)CC1
InChIInChI=1S/C16H23BrN6O2/c1-16(2,3)25-15(24)18-8-11-4-6-22(7-5-11)14-13-19-10-20-23(13)9-12(17)21-14/h9-11H,4-8H2,1-3H3,(H,18,24)
InChIKeyOBGKVTBFCHLXRX-UHFFFAOYSA-N
XLogP2.63
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-(5-carbamoyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
CID 71242125
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
tert-butyl N-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 121204851
tert-butyl N-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
CID 133300314
methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate
CID 67209275
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946
tert-butyl N-[[1-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]carbamate
CID 145433487
tert-butyl N-[[1-(4-chloro-5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 71634708
tert-butyl N-[[1-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperidin-4-yl]methyl]carbamate
CID 59013933
tert-butyl N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]carbamate
CID 95929355

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate (CID 168885145) is tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(c2nc(Br)cn3ncnc23)CC1.
What is the InChIKey of tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is OBGKVTBFCHLXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN6O2/c1-16(2,3)25-15(24)18-8-11-4-6-22(7-5-11)14-13-19-10-20-23(13)9-12(17)21-14/h9-11H,4-8H2,1-3H3,(H,18,24).
What are the key properties of tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 411.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 168885145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).