N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide

C18H19N5O4 — CID 665789

IUPACN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-25-13-9-11(10-14(26-2)15(13)27-3)16(24)20-18-21-17(19)23(22-18)12-7-5-4-6-8-12/h4-10H,1-3H3,(H3,19,20,21,22,24)
InChIKeyITOSKLTULUAWTA-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.13
Rot. Bonds6

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide (PubChem CID 665789) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide
PubChem CID665789
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-25-13-9-11(10-14(26-2)15(13)27-3)16(24)20-18-21-17(19)23(22-18)12-7-5-4-6-8-12/h4-10H,1-3H3,(H3,19,20,21,22,24)
InChIKeyITOSKLTULUAWTA-UHFFFAOYSA-N
XLogP2.13
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide 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

[5-Amino-3-(4-methylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708605
[5-Amino-3-(3,4-dimethylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708607
[5-Amino-3-(4-ethylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708608
[5-Amino-3-(3-methoxyanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708612
3,4,5-trimethoxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 606794
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-2,6-dimethoxybenzamide
CID 3791556
4-{5-[2-methoxy-4-(1-propen-1-yl)phenoxy]-1H-tetrazol-1-yl}benzamide
CID 979756
3,4,5-trimethoxy-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 1269291
3,4,5-Trimethoxy-N-{5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}benzamide
CID 16017357
(5-Amino-3-anilino-1,2,4-triazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 118708603
[5-Amino-3-(4-fluoroanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708604
[5-Amino-3-(3-methylanilino)-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708606

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide (CID 665789) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc(OC)c1OC.
What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is ITOSKLTULUAWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-25-13-9-11(10-14(26-2)15(13)27-3)16(24)20-18-21-17(19)23(22-18)12-7-5-4-6-8-12/h4-10H,1-3H3,(H3,19,20,21,22,24).
What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide?
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 369.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 665789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).