tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate

C15H25N5O2 — CID 102604402

IUPACtert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)22-14(21)19-7-4-11(5-8-19)13-18-17-12-10-16-6-9-20(12)13/h11,16H,4-10H2,1-3H3
InChIKeyGWEAGQXEYCBUII-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.50
Rot. Bonds1

About tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate (PubChem CID 102604402) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate
PubChem CID102604402
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Nametert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)22-14(21)19-7-4-11(5-8-19)13-18-17-12-10-16-6-9-20(12)13/h11,16H,4-10H2,1-3H3
InChIKeyGWEAGQXEYCBUII-UHFFFAOYSA-N
XLogP1.50
TPSA72.28 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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(piperidin-4-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 66509378
tert-butyl N-[2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]ethyl]carbamate
CID 75426575
tert-Butyl 3-(piperidin-3-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
CID 110246156
N-propan-2-yl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 118740591
morpholin-4-yl-(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 134789067
N-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxamide
CID 134791242
1-[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509695
1-[3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509703
tert-butyl 4-[3-(aminomethyl)-1H-1,2,4-triazol-5-yl]piperidine-1-carboxylate
CID 66486780
tert-butyl 4-(5-amino-1-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 91647484
tert-butyl N-{[3-(piperidin-4-yl)-1H-1,2,4-triazol-5-yl]methyl}carbamate
CID 132398468
tert-butyl 3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}azetidine-1-carboxylate
CID 165944365

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate (CID 102604402) is tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nnc3n2CCNC3)CC1.
What is the InChIKey of tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate?
The InChIKey is GWEAGQXEYCBUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-15(2,3)22-14(21)19-7-4-11(5-8-19)13-18-17-12-10-16-6-9-20(12)13/h11,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate has a molecular weight of 307.40 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 102604402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).