N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide

C23H20N4O2Se — CID 102341170

IUPACN-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnn(-c2ccccc2[Se]c2ccccc2)c1C
InChIInChI=1S/C23H20N4O2Se/c1-16-22(23(28)24-18-12-6-8-14-20(18)29-2)25-26-27(16)19-13-7-9-15-21(19)30-17-10-4-3-5-11-17/h3-15H,1-2H3,(H,24,28)
InChIKeyINNUZJMAIDPYGD-UHFFFAOYSA-N
MW463.40 g/mol
LogP2.49
Rot. Bonds6

About N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide

N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide (PubChem CID 102341170) has the molecular formula C23H20N4O2Se and a molecular weight of 463.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide
PubChem CID102341170
Molecular FormulaC23H20N4O2Se
Molecular Weight463.40 g/mol
Exact Mass464.08
IUPAC NameN-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nnn(-c2ccccc2[Se]c2ccccc2)c1C
InChIInChI=1S/C23H20N4O2Se/c1-16-22(23(28)24-18-12-6-8-14-20(18)29-2)25-26-27(16)19-13-7-9-15-21(19)30-17-10-4-3-5-11-17/h3-15H,1-2H3,(H,24,28)
InChIKeyINNUZJMAIDPYGD-UHFFFAOYSA-N
XLogP2.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7245475
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
1-(2-chlorophenyl)-N-(4-methoxy-3-pyridinyl)-5-methyltriazole-4-carboxamide
CID 56825593
1-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6493801
ethyl 5-methyl-1-[2-(4-methylphenyl)selanylphenyl]triazole-4-carboxylate
CID 102311931
N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2141172
N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27261932
N-(2-methoxyphenyl)-4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 66499445
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6493760
1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53366120
N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 7184924
1-(4-methoxyphenyl)-5-methyl-N-[2-(3-methylphenoxy)phenyl]triazole-4-carboxamide
CID 112821996

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide (CID 102341170) is N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide is COc1ccccc1NC(=O)c1nnn(-c2ccccc2[Se]c2ccccc2)c1C.
What is the InChIKey of N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide?
The InChIKey is INNUZJMAIDPYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2Se/c1-16-22(23(28)24-18-12-6-8-14-20(18)29-2)25-26-27(16)19-13-7-9-15-21(19)30-17-10-4-3-5-11-17/h3-15H,1-2H3,(H,24,28).
What are the key properties of N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide?
N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide has a molecular weight of 463.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 102341170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).