tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate

C19H26N8O3 — CID 69434916

IUPACtert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C19H26N8O3/c1-19(2,3)30-18(28)26-9-5-4-7-12(26)11-21-16-23-15(20)27-17(24-16)22-14(25-27)13-8-6-10-29-13/h6,8,10,12H,4-5,7,9,11H2,1-3H3,(H3,20,21,22,23,24,25)
InChIKeySBQFFCUPHIFGMU-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.56
Rot. Bonds4

About tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate (PubChem CID 69434916) has the molecular formula C19H26N8O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate
PubChem CID69434916
Molecular FormulaC19H26N8O3
Molecular Weight414.47 g/mol
Exact Mass414.21
IUPAC Nametert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C19H26N8O3/c1-19(2,3)30-18(28)26-9-5-4-7-12(26)11-21-16-23-15(20)27-17(24-16)22-14(25-27)13-8-6-10-29-13/h6,8,10,12H,4-5,7,9,11H2,1-3H3,(H3,20,21,22,23,24,25)
InChIKeySBQFFCUPHIFGMU-UHFFFAOYSA-N
XLogP2.56
TPSA136.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

5-N-[[(2R)-1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 11475832
tert-butyl 1-[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
CID 68685842
tert-butyl (2S)-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 97175699
2-(furan-2-yl)-5-N-propyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 15729947
N-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl]-2-pyrrolidin-1-ylacetamide
CID 147098302
5-N-[[1-[[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 69433681
tert-butyl 2-[[(4-chloropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71631683
5-N-(2-aminoethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 51051139
4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 153381356
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
tert-butyl 2-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 71634364
tert-butyl (2R)-2-[[[3-cyano-2-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 157038552

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate (CID 69434916) is tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is SBQFFCUPHIFGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O3/c1-19(2,3)30-18(28)26-9-5-4-7-12(26)11-21-16-23-15(20)27-17(24-16)22-14(25-27)13-8-6-10-29-13/h6,8,10,12H,4-5,7,9,11H2,1-3H3,(H3,20,21,22,23,24,25).
What are the key properties of tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 414.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 69434916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).