methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate

C11H17N5O4 — CID 112520366

IUPACmethyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cn(CC(=O)NCC2CCCO2)nn1
InChIInChI=1S/C11H17N5O4/c1-19-11(18)13-9-6-16(15-14-9)7-10(17)12-5-8-3-2-4-20-8/h6,8H,2-5,7H2,1H3,(H,12,17)(H,13,18)
InChIKeyFVDWQMCGHKHJSE-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.25
Rot. Bonds5

About methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate

methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate (PubChem CID 112520366) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
PubChem CID112520366
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Namemethyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cn(CC(=O)NCC2CCCO2)nn1
InChIInChI=1S/C11H17N5O4/c1-19-11(18)13-9-6-16(15-14-9)7-10(17)12-5-8-3-2-4-20-8/h6,8H,2-5,7H2,1H3,(H,12,17)(H,13,18)
InChIKeyFVDWQMCGHKHJSE-UHFFFAOYSA-N
XLogP-0.25
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(hydroxymethyl)triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 62401850
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010
2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110210647
2-(2-methoxyphenyl)-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]acetamide
CID 125164163
ethyl N-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate
CID 112520362
6-methoxy-N-[1-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 92632097
N-(oxolan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530729
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
methyl N-[1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529072
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
methyl N-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112525385
2-[4-(oxan-2-ylmethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290219

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate?
The IUPAC name of methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate (CID 112520366) is methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate is COC(=O)Nc1cn(CC(=O)NCC2CCCO2)nn1.
What is the InChIKey of methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate?
The InChIKey is FVDWQMCGHKHJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-19-11(18)13-9-6-16(15-14-9)7-10(17)12-5-8-3-2-4-20-8/h6,8H,2-5,7H2,1H3,(H,12,17)(H,13,18).
What are the key properties of methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate?
methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate has a molecular weight of 283.29 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]triazol-4-yl]carbamate is sourced from PubChem (CID 112520366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).