tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate

C13H22N4O2 — CID 69361618

IUPACtert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(Cn2cncn2)CCCC1
InChIInChI=1S/C13H22N4O2/c1-12(2,3)19-11(18)16-13(6-4-5-7-13)8-17-10-14-9-15-17/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyCTVDUJWGBKHDAN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.12
Rot. Bonds3

About tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate

tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate (PubChem CID 69361618) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate
PubChem CID69361618
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(Cn2cncn2)CCCC1
InChIInChI=1S/C13H22N4O2/c1-12(2,3)19-11(18)16-13(6-4-5-7-13)8-17-10-14-9-15-17/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeyCTVDUJWGBKHDAN-UHFFFAOYSA-N
XLogP2.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)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

Related Compounds

tert-butyl N-[2-(1,2,4-triazol-1-yl)ethyl]carbamate
CID 130752729
tert-butyl N-[(1S,2S)-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]cyclohexyl]carbamate
CID 94639619
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
CID 139520312
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
tert-butyl N-[1-[[(2-methylpyrazol-3-yl)methylcarbamoylamino]methyl]cycloheptyl]carbamate
CID 87007419

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate (CID 69361618) is tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1(Cn2cncn2)CCCC1.
What is the InChIKey of tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate?
The InChIKey is CTVDUJWGBKHDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-12(2,3)19-11(18)16-13(6-4-5-7-13)8-17-10-14-9-15-17/h9-10H,4-8H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate?
tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,2,4-triazol-1-ylmethyl)cyclopentyl]carbamate is sourced from PubChem (CID 69361618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).