N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide

C11H19N5O2 — CID 74241678

IUPACN-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide
SMILESCCN(CCN1CCOCC1)C(=O)c1cn[nH]n1
InChIInChI=1S/C11H19N5O2/c1-2-16(11(17)10-9-12-14-13-10)4-3-15-5-7-18-8-6-15/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyIRVRDXUEKIDKGR-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.40
Rot. Bonds5

About N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide

N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide (PubChem CID 74241678) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide
PubChem CID74241678
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide
SMILESCCN(CCN1CCOCC1)C(=O)c1cn[nH]n1
InChIInChI=1S/C11H19N5O2/c1-2-16(11(17)10-9-12-14-13-10)4-3-15-5-7-18-8-6-15/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyIRVRDXUEKIDKGR-UHFFFAOYSA-N
XLogP-0.40
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide (CID 74241678) is N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide is CCN(CCN1CCOCC1)C(=O)c1cn[nH]n1.
What is the InChIKey of N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide?
The InChIKey is IRVRDXUEKIDKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-16(11(17)10-9-12-14-13-10)4-3-15-5-7-18-8-6-15/h9H,2-8H2,1H3,(H,12,13,14).
What are the key properties of N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide?
N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-morpholin-4-ylethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 74241678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).