1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide

C21H23N5O3 — CID 55952566

IUPAC1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)Nc3cccc(N4CCOCC4)c3)c2C)c1
InChIInChI=1S/C21H23N5O3/c1-15-20(23-24-26(15)18-7-4-8-19(14-18)28-2)21(27)22-16-5-3-6-17(13-16)25-9-11-29-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,22,27)
InChIKeyYRFZPGGLDXDIOS-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.67
Rot. Bonds5

About 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide

1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide (PubChem CID 55952566) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
PubChem CID55952566
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)Nc3cccc(N4CCOCC4)c3)c2C)c1
InChIInChI=1S/C21H23N5O3/c1-15-20(23-24-26(15)18-7-4-8-19(14-18)28-2)21(27)22-16-5-3-6-17(13-16)25-9-11-29-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,22,27)
InChIKeyYRFZPGGLDXDIOS-UHFFFAOYSA-N
XLogP2.67
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
1-(3-methoxyphenyl)-5-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]triazole-4-carboxamide
CID 55670673
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 136541846
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55651605
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
1-(3-methoxyphenyl)-5-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]triazole-4-carboxamide
CID 55989961
1-(4-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 112821981
N-(4-cyclopentylsulfonylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55669945
5-(methoxymethyl)-N-(3-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651697

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide (CID 55952566) is 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)Nc3cccc(N4CCOCC4)c3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide?
The InChIKey is YRFZPGGLDXDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-15-20(23-24-26(15)18-7-4-8-19(14-18)28-2)21(27)22-16-5-3-6-17(13-16)25-9-11-29-12-10-25/h3-8,13-14H,9-12H2,1-2H3,(H,22,27).
What are the key properties of 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide?
1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 55952566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).