tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate

C10H18N4O3 — CID 134470223

IUPACtert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(=O)n1C
InChIInChI=1S/C10H18N4O3/c1-6(7-12-13-8(15)14(7)5)11-9(16)17-10(2,3)4/h6H,1-5H3,(H,11,16)(H,13,15)/t6-/m1/s1
InChIKeyZJVHJWVXDHIMQK-ZCFIWIBFSA-N
MW242.28 g/mol
LogP0.69
Rot. Bonds2

About tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate

tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate (PubChem CID 134470223) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate
PubChem CID134470223
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Nametert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(=O)n1C
InChIInChI=1S/C10H18N4O3/c1-6(7-12-13-8(15)14(7)5)11-9(16)17-10(2,3)4/h6H,1-5H3,(H,11,16)(H,13,15)/t6-/m1/s1
InChIKeyZJVHJWVXDHIMQK-ZCFIWIBFSA-N
XLogP0.69
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[(1R)-1-[2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]carbamate
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tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
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tert-butyl N-[(1S)-1-[1-(4-chlorophenyl)-3-methyl-2H-triazol-4-yl]ethyl]carbamate
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tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate (CID 134470223) is tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(=O)n1C.
What is the InChIKey of tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate?
The InChIKey is ZJVHJWVXDHIMQK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-6(7-12-13-8(15)14(7)5)11-9(16)17-10(2,3)4/h6H,1-5H3,(H,11,16)(H,13,15)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate has a molecular weight of 242.28 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 134470223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).