tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate

C10H18N4O2 — CID 155209398

IUPACtert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate
SMILESCC(Cn1ccnn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N4O2/c1-8(7-14-6-5-11-13-14)12-9(15)16-10(2,3)4/h5-6,8H,7H2,1-4H3,(H,12,15)
InChIKeyKIDZRJBKTXWUFS-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.19
Rot. Bonds3

About tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate

tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate (PubChem CID 155209398) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate
PubChem CID155209398
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nametert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate
SMILESCC(Cn1ccnn1)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N4O2/c1-8(7-14-6-5-11-13-14)12-9(15)16-10(2,3)4/h5-6,8H,7H2,1-4H3,(H,12,15)
InChIKeyKIDZRJBKTXWUFS-UHFFFAOYSA-N
XLogP1.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate
CID 126827719
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxopyridine-4-carboxylic acid
CID 175531214
methyl 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazole-4-carboxylate
CID 167225515
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-[(2S)-1-[4-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]carbamoylamino]methyl]triazol-1-yl]propan-2-yl]carbamate
CID 166358545
tert-butyl N-[1-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]triazol-1-yl]propan-2-yl]carbamate;propane
CID 171110702
tert-butyl N-(5-oxohexan-2-yl)carbamate
CID 59917777
tert-butyl N-(5-aminohexan-2-yl)carbamate
CID 145220242
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate (CID 155209398) is tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate is CC(Cn1ccnn1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate?
The InChIKey is KIDZRJBKTXWUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-8(7-14-6-5-11-13-14)12-9(15)16-10(2,3)4/h5-6,8H,7H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate has a molecular weight of 226.28 g/mol, XLogP of 1.19, 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-(triazol-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 155209398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).