tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate

C14H25N5O2 — CID 80559631

IUPACtert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1nncn1C
InChIInChI=1S/C14H25N5O2/c1-9(12-18-15-8-19(12)5)16-10-6-11(7-10)17-13(20)21-14(2,3)4/h8-11,16H,6-7H2,1-5H3,(H,17,20)
InChIKeyIWYMNYGRHJEACG-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.52
Rot. Bonds4

About tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate

tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 80559631) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
PubChem CID80559631
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Nametert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate
SMILESCC(NC1CC(NC(=O)OC(C)(C)C)C1)c1nncn1C
InChIInChI=1S/C14H25N5O2/c1-9(12-18-15-8-19(12)5)16-10-6-11(7-10)17-13(20)21-14(2,3)4/h8-11,16H,6-7H2,1-5H3,(H,17,20)
InChIKeyIWYMNYGRHJEACG-UHFFFAOYSA-N
XLogP1.52
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43703170
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
tert-butyl N-[3-[1-(3,5-difluorophenyl)ethylamino]cyclobutyl]carbamate
CID 107239164
tert-butyl N-[3-[1-(1H-pyrazol-5-yl)ethylamino]cyclobutyl]carbamate
CID 107238841
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclopentyl]carbamate
CID 103719905
tert-butyl N-[3-[1-(5-bromofuran-2-yl)ethylamino]cyclobutyl]carbamate
CID 107239119
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thietan-3-amine
CID 130683482
tert-butyl N-[[(2R)-4-methyl-1-[[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]carbamoyl]piperazin-2-yl]methyl]carbamate
CID 98853805
tert-butyl N-[3-[1-(4-bromothiophen-2-yl)ethylamino]cyclobutyl]carbamate
CID 107354580
tert-butyl N-[3-[[(1R)-1-(3-bromophenyl)ethyl]amino]cyclobutyl]carbamate
CID 103791631
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate (CID 80559631) is tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate is CC(NC1CC(NC(=O)OC(C)(C)C)C1)c1nncn1C.
What is the InChIKey of tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is IWYMNYGRHJEACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-9(12-18-15-8-19(12)5)16-10-6-11(7-10)17-13(20)21-14(2,3)4/h8-11,16H,6-7H2,1-5H3,(H,17,20).
What are the key properties of tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 295.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 80559631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).