2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide

C13H21N5O3 — CID 129002863

IUPAC2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide
SMILESCCC1OCCCC1C(=O)Nc1ncn(CC(=O)NC)n1
InChIInChI=1S/C13H21N5O3/c1-3-10-9(5-4-6-21-10)12(20)16-13-15-8-18(17-13)7-11(19)14-2/h8-10H,3-7H2,1-2H3,(H,14,19)(H,16,17,20)
InChIKeyOBSOUHMEOIBMLH-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.17
Rot. Bonds5

About 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide

2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide (PubChem CID 129002863) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide
PubChem CID129002863
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide
SMILESCCC1OCCCC1C(=O)Nc1ncn(CC(=O)NC)n1
InChIInChI=1S/C13H21N5O3/c1-3-10-9(5-4-6-21-10)12(20)16-13-15-8-18(17-13)7-11(19)14-2/h8-10H,3-7H2,1-2H3,(H,14,19)(H,16,17,20)
InChIKeyOBSOUHMEOIBMLH-UHFFFAOYSA-N
XLogP0.17
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2R,3R)-2-ethyloxane-3-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 129492016
(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide
CID 129479241
(2S,3R)-2-cyclopropyl-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxolane-3-carboxamide
CID 136585255
(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide
CID 129479503
N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-ethyloxane-3-carboxamide
CID 128995921
(2R,3R)-2-ethyl-N-(4-methoxy-3-pyridinyl)oxane-3-carboxamide
CID 129479124
N-(5-cyano-2-pyridinyl)-2-ethyloxolane-3-carboxamide
CID 114105635
trans-(1R,2R)-N-[1-[2-(benzylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methoxycyclopropane-1-carboxamide
CID 136585717
3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 114105241
(2S,3S)-N-(2-cyano-4-ethylphenyl)-2-ethyloxane-3-carboxamide
CID 125419464
2-ethyl-N-(3-hydroxyphenyl)oxolane-3-carboxamide
CID 114104197
N-[4-(aminomethyl)phenyl]-2-ethyloxolane-3-carboxamide
CID 114104996

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide?
The IUPAC name of 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide (CID 129002863) is 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide is CCC1OCCCC1C(=O)Nc1ncn(CC(=O)NC)n1.
What is the InChIKey of 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide?
The InChIKey is OBSOUHMEOIBMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-10-9(5-4-6-21-10)12(20)16-13-15-8-18(17-13)7-11(19)14-2/h8-10H,3-7H2,1-2H3,(H,14,19)(H,16,17,20).
What are the key properties of 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide?
2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[2-(methylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]oxane-3-carboxamide is sourced from PubChem (CID 129002863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).