tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate

C15H25N5O2 — CID 97258682

IUPACtert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCCn3ncnc32)C1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)22-14(21)19-8-6-11(9-19)18-12-5-4-7-20-13(12)16-10-17-20/h10-12,18H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyZMXFFAMZLIVDKE-NEPJUHHUSA-N
MW307.40 g/mol
LogP1.71
Rot. Bonds2

About tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate (PubChem CID 97258682) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate
PubChem CID97258682
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Nametert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCCn3ncnc32)C1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)22-14(21)19-8-6-11(9-19)18-12-5-4-7-20-13(12)16-10-17-20/h10-12,18H,4-9H2,1-3H3/t11-,12+/m1/s1
InChIKeyZMXFFAMZLIVDKE-NEPJUHHUSA-N
XLogP1.71
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(1,2-diazaspiro[2.5]oct-1-en-5-ylamino)pyrrolidine-1-carboxylate
CID 167930887
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CID 107239349
tert-butyl 3-[(3-propan-2-ylcyclohexyl)amino]pyrrolidine-1-carboxylate
CID 107448863
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
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tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl (3R)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]piperidine-1-carboxylate
CID 94014313
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
tert-butyl (3R)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415547
tert-butyl (3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 142415489
tert-butyl (3S)-3-(thian-4-ylamino)pyrrolidine-1-carboxylate
CID 86609366

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate (CID 97258682) is tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCCn3ncnc32)C1.
What is the InChIKey of tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate?
The InChIKey is ZMXFFAMZLIVDKE-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-15(2,3)22-14(21)19-8-6-11(9-19)18-12-5-4-7-20-13(12)16-10-17-20/h10-12,18H,4-9H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate has a molecular weight of 307.40 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 97258682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).