methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate

C9H15N5O4 — CID 112531448

IUPACmethyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)N(C)CCO)n1
InChIInChI=1S/C9H15N5O4/c1-13(3-4-15)8(16)6-14-10-5-7(12-14)11-9(17)18-2/h5,15H,3-4,6H2,1-2H3,(H,11,12,17)
InChIKeyAVYLPJARBXYJSO-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.09
Rot. Bonds5

About methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate

methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate (PubChem CID 112531448) has the molecular formula C9H15N5O4 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate
PubChem CID112531448
Molecular FormulaC9H15N5O4
Molecular Weight257.25 g/mol
Exact Mass257.11
IUPAC Namemethyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)N(C)CCO)n1
InChIInChI=1S/C9H15N5O4/c1-13(3-4-15)8(16)6-14-10-5-7(12-14)11-9(17)18-2/h5,15H,3-4,6H2,1-2H3,(H,11,12,17)
InChIKeyAVYLPJARBXYJSO-UHFFFAOYSA-N
XLogP-1.09
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[2-[2-[(2-methylpyrazol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112524871
ethyl N-[2-(2-amino-2-oxoethyl)triazol-4-yl]carbamate
CID 112520587
methyl N-[2-[2-oxo-2-(pyrimidin-4-ylamino)ethyl]triazol-4-yl]carbamate
CID 112524310
methyl N-[2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
CID 112531885
methyl N-[2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112520625
methyl N-[2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]triazol-4-yl]carbamate
CID 112530230
ethyl N-[2-(2-oxo-2-pyrrolidin-1-ylethyl)triazol-4-yl]carbamate
CID 112530460
methyl N-[2-[2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529995
methyl N-[2-[2-[(2-methyl-1H-indol-3-yl)amino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112527147
methyl N-[2-[2-(3H-benzimidazol-5-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112527416
methyl 1-[2-[4-(ethoxycarbonylamino)triazol-2-yl]acetyl]piperidine-4-carboxylate
CID 112531700
ethyl N-[2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]triazol-4-yl]carbamate
CID 112531278

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The IUPAC name of methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate (CID 112531448) is methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The canonical SMILES for methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate is COC(=O)Nc1cnn(CC(=O)N(C)CCO)n1.
What is the InChIKey of methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
The InChIKey is AVYLPJARBXYJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4/c1-13(3-4-15)8(16)6-14-10-5-7(12-14)11-9(17)18-2/h5,15H,3-4,6H2,1-2H3,(H,11,12,17).
What are the key properties of methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate?
methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate has a molecular weight of 257.25 g/mol, XLogP of -1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112531448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).