tert-butyl N-(4-propyltriazol-1-yl)carbamate

C10H18N4O2 — CID 141383386

IUPACtert-butyl N-(4-propyltriazol-1-yl)carbamate
SMILESCCCc1cn(NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C10H18N4O2/c1-5-6-8-7-14(13-11-8)12-9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,15)
InChIKeyXUHYVJZTRKWWSG-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.71
Rot. Bonds3

About tert-butyl N-(4-propyltriazol-1-yl)carbamate

tert-butyl N-(4-propyltriazol-1-yl)carbamate (PubChem CID 141383386) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-(4-propyltriazol-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-propyltriazol-1-yl)carbamate
PubChem CID141383386
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Nametert-butyl N-(4-propyltriazol-1-yl)carbamate
SMILESCCCc1cn(NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C10H18N4O2/c1-5-6-8-7-14(13-11-8)12-9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,15)
InChIKeyXUHYVJZTRKWWSG-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-hydroxy-2-(hydroxymethyl)-3-(1-tridecyltriazol-4-yl)propan-2-yl]carbamate
CID 140807003
tert-butyl 3-[1-(2-(18F)fluoroethyl)triazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 140556342
tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
CID 126422556
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
CID 819122
tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103527141
tert-butyl N-[1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250505
tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate
CID 126827719
tert-butyl N-[2-(hydroxymethyl)-3-(1-methyltriazol-4-yl)propyl]carbamate
CID 107053943
tert-butyl N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]carbamate
CID 178054648
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate
CID 67159691
tert-butyl N-[2-[(6-chloro-2-propylpyrimidin-4-yl)amino]ethyl]carbamate
CID 114518283

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-propyltriazol-1-yl)carbamate?
The IUPAC name of tert-butyl N-(4-propyltriazol-1-yl)carbamate (CID 141383386) is tert-butyl N-(4-propyltriazol-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-propyltriazol-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-propyltriazol-1-yl)carbamate is CCCc1cn(NC(=O)OC(C)(C)C)nn1.
What is the InChIKey of tert-butyl N-(4-propyltriazol-1-yl)carbamate?
The InChIKey is XUHYVJZTRKWWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-5-6-8-7-14(13-11-8)12-9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-(4-propyltriazol-1-yl)carbamate?
tert-butyl N-(4-propyltriazol-1-yl)carbamate has a molecular weight of 226.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-propyltriazol-1-yl)carbamate is sourced from PubChem (CID 141383386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).