1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide

C19H20N4O4 — CID 18152035

IUPAC1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(Cc3ccccc3)nn2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-25-16-9-14(10-17(26-2)18(16)27-3)20-19(24)15-12-23(22-21-15)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,24)
InChIKeyCSUDBQLCNNBURF-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.60
Rot. Bonds7

About 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide

1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide (PubChem CID 18152035) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
PubChem CID18152035
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cn(Cc3ccccc3)nn2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4/c1-25-16-9-14(10-17(26-2)18(16)27-3)20-19(24)15-12-23(22-21-15)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,24)
InChIKeyCSUDBQLCNNBURF-UHFFFAOYSA-N
XLogP2.60
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]triazole-4-carboxamide
CID 31031199
1-[(4-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 25458811
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259
1-benzyl-N-(3-chloro-4-fluorophenyl)triazole-4-carboxamide
CID 18146618
1-benzyl-N-[4-(cyanomethyl)phenyl]triazole-4-carboxamide
CID 134046112
1-benzyl-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]triazole-4-carboxamide
CID 31858779
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
1-benzyl-N-(2,5-dichlorophenyl)triazole-4-carboxamide
CID 31701106
N-(1,3-benzodioxol-5-yl)-1-benzyltriazole-4-carboxamide
CID 31699405
1-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)triazole-4-carboxamide
CID 31031821
(E)-3-(1-benzyltriazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 8529750
1-benzyltriazole-4-carbonyl chloride
CID 87720228

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide (CID 18152035) is 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide is COc1cc(NC(=O)c2cn(Cc3ccccc3)nn2)cc(OC)c1OC.
What is the InChIKey of 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
The InChIKey is CSUDBQLCNNBURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-16-9-14(10-17(26-2)18(16)27-3)20-19(24)15-12-23(22-21-15)11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,20,24).
What are the key properties of 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 18152035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).