N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide

C19H20N4O3 — CID 16651847

IUPACN-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)NCc2ccccc2)nnn1-c1ccc(OC)cc1
InChIInChI=1S/C19H20N4O3/c1-25-13-17-18(19(24)20-12-14-6-4-3-5-7-14)21-22-23(17)15-8-10-16(26-2)11-9-15/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyBZLVCWWBHJBCFV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.35
Rot. Bonds7

About N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide

N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide (PubChem CID 16651847) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
PubChem CID16651847
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOCc1c(C(=O)NCc2ccccc2)nnn1-c1ccc(OC)cc1
InChIInChI=1S/C19H20N4O3/c1-25-13-17-18(19(24)20-12-14-6-4-3-5-7-14)21-22-23(17)15-8-10-16(26-2)11-9-15/h3-11H,12-13H2,1-2H3,(H,20,24)
InChIKeyBZLVCWWBHJBCFV-UHFFFAOYSA-N
XLogP2.35
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-5-methyl-1-(4-propoxyphenyl)triazole-4-carboxamide
CID 17015548
5-(methoxymethyl)-1-(4-phenoxyphenyl)triazole-4-carboxylic acid
CID 53366312
N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651864
N-benzyl-1-[4-(difluoromethoxy)phenyl]-5-methyltriazole-4-carboxamide
CID 16654263
N-[(3-methoxyphenyl)methyl]-5-(phenylmethoxymethyl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 69369978
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
CID 17015604
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
5-(methoxymethyl)-1-(4-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
CID 16651675
5-amino-N-benzyl-1-phenyltriazole-4-carboxamide
CID 17015753
N-(5-benzyl-1,3-thiazol-2-yl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651642

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide (CID 16651847) is N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide is COCc1c(C(=O)NCc2ccccc2)nnn1-c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is BZLVCWWBHJBCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-13-17-18(19(24)20-12-14-6-4-3-5-7-14)21-22-23(17)15-8-10-16(26-2)11-9-15/h3-11H,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 16651847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).