tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate

C10H19N5O2 — CID 130598570

IUPACtert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
SMILESCn1cc(C(CN)NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C10H19N5O2/c1-10(2,3)17-9(16)12-7(5-11)8-6-15(4)14-13-8/h6-7H,5,11H2,1-4H3,(H,12,16)
InChIKeyZSFGQNCFIFAFRO-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.34
Rot. Bonds3

About tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate

tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate (PubChem CID 130598570) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
PubChem CID130598570
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Nametert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate
SMILESCn1cc(C(CN)NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C10H19N5O2/c1-10(2,3)17-9(16)12-7(5-11)8-6-15(4)14-13-8/h6-7H,5,11H2,1-4H3,(H,12,16)
InChIKeyZSFGQNCFIFAFRO-UHFFFAOYSA-N
XLogP0.34
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[1-(1,5-dimethylpyrazol-3-yl)-2-hydroxyethyl]carbamate
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tert-butyl N-[2-amino-1-(2-ethylpyrazol-3-yl)ethyl]carbamate
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tert-butyl N-(2-hydroxy-1-pyridin-2-ylethyl)carbamate
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tert-butyl 3-[1-(2-(18F)fluoroethyl)triazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
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tert-butyl N-[(1R)-2-hydroxy-1-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamate
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tert-butyl 4-[(2S)-2-[4-[(1R)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-1-yl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
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tert-butyl N-[2-(hydroxymethyl)-3-(1-methyltriazol-4-yl)propyl]carbamate
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tert-butyl N-[(1S)-1,2-diaminoethyl]carbamate
CID 95800069
tert-butyl N-[1-[3-(2-amino-2-oxoethyl)imidazol-4-yl]-2-hydroxyethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate (CID 130598570) is tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate is Cn1cc(C(CN)NC(=O)OC(C)(C)C)nn1.
What is the InChIKey of tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate?
The InChIKey is ZSFGQNCFIFAFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-10(2,3)17-9(16)12-7(5-11)8-6-15(4)14-13-8/h6-7H,5,11H2,1-4H3,(H,12,16).
What are the key properties of tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate?
tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate has a molecular weight of 241.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-(1-methyltriazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 130598570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).