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

C10H15N5O4 — CID 112530564

IUPACmethyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C10H15N5O4/c1-18-10(17)12-8-6-11-15(13-8)7-9(16)14-2-4-19-5-3-14/h6H,2-5,7H2,1H3,(H,12,13,17)
InChIKeyXMKXQVQMGKIGON-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.68
Rot. Bonds3

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

methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate (PubChem CID 112530564) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate
PubChem CID112530564
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Namemethyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate
SMILESCOC(=O)Nc1cnn(CC(=O)N2CCOCC2)n1
InChIInChI=1S/C10H15N5O4/c1-18-10(17)12-8-6-11-15(13-8)7-9(16)14-2-4-19-5-3-14/h6H,2-5,7H2,1H3,(H,12,13,17)
InChIKeyXMKXQVQMGKIGON-UHFFFAOYSA-N
XLogP-0.68
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate?
The IUPAC name of methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate (CID 112530564) is methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate?
The canonical SMILES for methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate is COC(=O)Nc1cnn(CC(=O)N2CCOCC2)n1.
What is the InChIKey of methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate?
The InChIKey is XMKXQVQMGKIGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-18-10(17)12-8-6-11-15(13-8)7-9(16)14-2-4-19-5-3-14/h6H,2-5,7H2,1H3,(H,12,13,17).
What are the key properties of methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate?
methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate has a molecular weight of 269.26 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-morpholin-4-yl-2-oxoethyl)triazol-4-yl]carbamate is sourced from PubChem (CID 112530564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).