2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide

C12H21N5O3 — CID 126835185

IUPAC2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCCC1CN(C(=O)NCc2n[nH]c(=O)n2C)CC(C)O1
InChIInChI=1S/C12H21N5O3/c1-4-9-7-17(6-8(2)20-9)11(18)13-5-10-14-15-12(19)16(10)3/h8-9H,4-7H2,1-3H3,(H,13,18)(H,15,19)
InChIKeyDNBLOZCEUSMPRX-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.18
Rot. Bonds3

About 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide

2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 126835185) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID126835185
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCCC1CN(C(=O)NCc2n[nH]c(=O)n2C)CC(C)O1
InChIInChI=1S/C12H21N5O3/c1-4-9-7-17(6-8(2)20-9)11(18)13-5-10-14-15-12(19)16(10)3/h8-9H,4-7H2,1-3H3,(H,13,18)(H,15,19)
InChIKeyDNBLOZCEUSMPRX-UHFFFAOYSA-N
XLogP-0.18
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide with MolForge

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Related Compounds

(2S,3S)-3-methyl-N-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 137933652
2-[2-(2-Ethoxyethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62938230
2-(2-Propan-2-yloxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273411
2-[(4-Methylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 79182250
2-[(4-Ethylmorpholin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 79182335
2-(2-Methoxypropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 104170873
2-(2-Propoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 106459736
2-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 112592495
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 118795028
3-(2-Propylmorpholine-4-carbonyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136315881
3-[(2R)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706827
3-[(2S)-2-propylmorpholine-4-carbonyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136706828

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide (CID 126835185) is 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is CCC1CN(C(=O)NCc2n[nH]c(=O)n2C)CC(C)O1.
What is the InChIKey of 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is DNBLOZCEUSMPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-4-9-7-17(6-8(2)20-9)11(18)13-5-10-14-15-12(19)16(10)3/h8-9H,4-7H2,1-3H3,(H,13,18)(H,15,19).
What are the key properties of 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide?
2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 283.33 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 126835185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).