N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide

C14H25N5O2 — CID 128696158

IUPACN-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)NCc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C14H25N5O2/c1-5-10-9-21-7-6-19(10)13(20)15-8-11-16-12(18-17-11)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyZMHLIFFKOXURRJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.42
Rot. Bonds3

About N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide

N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide (PubChem CID 128696158) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide
PubChem CID128696158
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide
SMILESCCC1COCCN1C(=O)NCc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C14H25N5O2/c1-5-10-9-21-7-6-19(10)13(20)15-8-11-16-12(18-17-11)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17,18)
InChIKeyZMHLIFFKOXURRJ-UHFFFAOYSA-N
XLogP1.42
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436758
(3R)-3-ethyl-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 95968907
1-[2-[(3-ethylmorpholine-4-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497005
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 96995653
N-(cyanomethyl)-2-(3-ethylmorpholin-4-yl)-2-oxoacetamide
CID 43613314
3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide
CID 154802459
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
3-ethyl-N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]morpholine-4-carboxamide
CID 126839117

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide (CID 128696158) is N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide is CCC1COCCN1C(=O)NCc1nc(C(C)(C)C)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide?
The InChIKey is ZMHLIFFKOXURRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-10-9-21-7-6-19(10)13(20)15-8-11-16-12(18-17-11)14(2,3)4/h10H,5-9H2,1-4H3,(H,15,20)(H,16,17,18).
What are the key properties of N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide?
N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-3-ethylmorpholine-4-carboxamide is sourced from PubChem (CID 128696158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).