tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate

C16H23F3N4O2 — CID 118308261

IUPACtert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate
SMILESCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23F3N4O2/c1-9-13(20-8-12(21-9)16(17,18)19)22-10-6-5-7-11(10)23-14(24)25-15(2,3)4/h8,10-11H,5-7H2,1-4H3,(H,20,22)(H,23,24)/t10-,11-/m0/s1
InChIKeyPACJCBGJZOXIDY-QWRGUYRKSA-N
MW360.38 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate

tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate (PubChem CID 118308261) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate
PubChem CID118308261
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Nametert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate
SMILESCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C16H23F3N4O2/c1-9-13(20-8-12(21-9)16(17,18)19)22-10-6-5-7-11(10)23-14(24)25-15(2,3)4/h8,10-11H,5-7H2,1-4H3,(H,20,22)(H,23,24)/t10-,11-/m0/s1
InChIKeyPACJCBGJZOXIDY-QWRGUYRKSA-N
XLogP3.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate (CID 118308261) is tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate is Cc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate?
The InChIKey is PACJCBGJZOXIDY-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-9-13(20-8-12(21-9)16(17,18)19)22-10-6-5-7-11(10)23-14(24)25-15(2,3)4/h8,10-11H,5-7H2,1-4H3,(H,20,22)(H,23,24)/t10-,11-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate?
tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate has a molecular weight of 360.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]carbamate is sourced from PubChem (CID 118308261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).