N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide

C16H21N5O2 — CID 167824432

IUPACN-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide
SMILESCN(Cc1ccc(CN2CCOCC2)cc1)C(=O)c1cn[nH]n1
InChIInChI=1S/C16H21N5O2/c1-20(16(22)15-10-17-19-18-15)11-13-2-4-14(5-3-13)12-21-6-8-23-9-7-21/h2-5,10H,6-9,11-12H2,1H3,(H,17,18,19)
InChIKeyYNMHXPZTJDXGCQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.91
Rot. Bonds5

About N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide

N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide (PubChem CID 167824432) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide
PubChem CID167824432
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide
SMILESCN(Cc1ccc(CN2CCOCC2)cc1)C(=O)c1cn[nH]n1
InChIInChI=1S/C16H21N5O2/c1-20(16(22)15-10-17-19-18-15)11-13-2-4-14(5-3-13)12-21-6-8-23-9-7-21/h2-5,10H,6-9,11-12H2,1H3,(H,17,18,19)
InChIKeyYNMHXPZTJDXGCQ-UHFFFAOYSA-N
XLogP0.91
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-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

N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176
N-methyl-N-[(4-methylphenyl)methyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56741639
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312063
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 166304966
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111307469
amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid
CID 175714348
N-methyl-6-oxo-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 31660617
N-benzyl-N-methyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 71838118

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide (CID 167824432) is N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide is CN(Cc1ccc(CN2CCOCC2)cc1)C(=O)c1cn[nH]n1.
What is the InChIKey of N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is YNMHXPZTJDXGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20(16(22)15-10-17-19-18-15)11-13-2-4-14(5-3-13)12-21-6-8-23-9-7-21/h2-5,10H,6-9,11-12H2,1H3,(H,17,18,19).
What are the key properties of N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide?
N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 167824432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).