N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide

C17H23N5O2 — CID 648177

IUPACN-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide
SMILESCC(c1ccccc1)n1cc(C(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C17H23N5O2/c1-14(15-5-3-2-4-6-15)22-13-16(19-20-22)17(23)18-7-8-21-9-11-24-12-10-21/h2-6,13-14H,7-12H2,1H3,(H,18,23)
InChIKeyNLHWMEWMHJEJLD-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.95
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide

N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide (PubChem CID 648177) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide
PubChem CID648177
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide
SMILESCC(c1ccccc1)n1cc(C(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C17H23N5O2/c1-14(15-5-3-2-4-6-15)22-13-16(19-20-22)17(23)18-7-8-21-9-11-24-12-10-21/h2-6,13-14H,7-12H2,1H3,(H,18,23)
InChIKeyNLHWMEWMHJEJLD-UHFFFAOYSA-N
XLogP0.95
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-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

[(1R)-1-[(1-benzyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155517370
(2S)-2-acetamido-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
CID 155531034
1-[1-(4-methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 6483911
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 644529
1-(1-p-Tolyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
CID 645167
1-[1-(2-Fluoro-phenyl)-ethyl]-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
CID 647546
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 649335
1-(2-Fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-ethyl]-amide
CID 649632
1-(1-p-Tolyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 650396
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid 4-(2-oxo-pyrrolidin-1-yl)-benzylamide
CID 650744
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
CID 6483908
1-{[1-(cyclohexylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-2-methyl-4-(4-methylphenyl)piperazine
CID 24818888

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide (CID 648177) is N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide is CC(c1ccccc1)n1cc(C(=O)NCCN2CCOCC2)nn1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide?
The InChIKey is NLHWMEWMHJEJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-14(15-5-3-2-4-6-15)22-13-16(19-20-22)17(23)18-7-8-21-9-11-24-12-10-21/h2-6,13-14H,7-12H2,1H3,(H,18,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-(1-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 648177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).