tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate

C13H22N4O2 — CID 177053650

IUPACtert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@@H]1Cc2nc(C)nn2C1
InChIInChI=1S/C13H22N4O2/c1-6-16(12(18)19-13(3,4)5)10-7-11-14-9(2)15-17(11)8-10/h10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyHHDILXZFASJYGO-SNVBAGLBSA-N
MW266.34 g/mol
LogP1.77
Rot. Bonds2

About tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate

tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate (PubChem CID 177053650) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate
PubChem CID177053650
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@@H]1Cc2nc(C)nn2C1
InChIInChI=1S/C13H22N4O2/c1-6-16(12(18)19-13(3,4)5)10-7-11-14-9(2)15-17(11)8-10/h10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyHHDILXZFASJYGO-SNVBAGLBSA-N
XLogP1.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate (CID 177053650) is tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate is CCN(C(=O)OC(C)(C)C)[C@@H]1Cc2nc(C)nn2C1.
What is the InChIKey of tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate?
The InChIKey is HHDILXZFASJYGO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-6-16(12(18)19-13(3,4)5)10-7-11-14-9(2)15-17(11)8-10/h10H,6-8H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate?
tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(6R)-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-6-yl]carbamate is sourced from PubChem (CID 177053650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).