2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C13H16N4O3 — CID 64531620

IUPAC2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCCc2ncn[nH]2)c1
InChIInChI=1S/C13H16N4O3/c1-19-9-3-4-11(20-2)10(7-9)13(18)14-6-5-12-15-8-16-17-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyJLGVTPFHSSXLRU-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.79
Rot. Bonds6

About 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 64531620) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID64531620
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCCc2ncn[nH]2)c1
InChIInChI=1S/C13H16N4O3/c1-19-9-3-4-11(20-2)10(7-9)13(18)14-6-5-12-15-8-16-17-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyJLGVTPFHSSXLRU-UHFFFAOYSA-N
XLogP0.79
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64546437
2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64529419
2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510726
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113227599
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
3-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64519181
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
2-(3,4-dimethylphenoxy)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548351
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486788

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 64531620) is 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is COc1ccc(OC)c(C(=O)NCCc2ncn[nH]2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is JLGVTPFHSSXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-19-9-3-4-11(20-2)10(7-9)13(18)14-6-5-12-15-8-16-17-12/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 276.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 64531620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).