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

C17H23N5O2 — CID 645404

IUPACN-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C17H23N5O2/c23-17(18-7-9-21-10-12-24-13-11-21)16-14-22(20-19-16)8-6-15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,18,23)
InChIKeySXIHSSMFRBDIBR-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.58
Rot. Bonds7

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

N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 645404) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide
PubChem CID645404
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C17H23N5O2/c23-17(18-7-9-21-10-12-24-13-11-21)16-14-22(20-19-16)8-6-15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,18,23)
InChIKeySXIHSSMFRBDIBR-UHFFFAOYSA-N
XLogP0.58
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-1-[(1-benzyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155517370
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 644529
1-(1-Phenyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 648177
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-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
N-cyclopropyl-1-(2-{1-[(2'-methyl-3-biphenylyl)methyl]-2-piperidinyl}ethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45244515
1-benzyl-N-[(1-benzyltriazol-4-yl)methyl]triazole-4-carboxamide
CID 71661125
N-(1-cyclohexylpiperidin-4-yl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 127396636
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
CID 155542132
1-(4-methylphenyl)-N-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 162661301

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide (CID 645404) is N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide is O=C(NCCN1CCOCC1)c1cn(CCc2ccccc2)nn1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is SXIHSSMFRBDIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(18-7-9-21-10-12-24-13-11-21)16-14-22(20-19-16)8-6-15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,18,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-1-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.58, 7 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-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 645404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).