2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C13H16N4O3 — CID 64510726

IUPAC2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)N(C)Cc2ncn[nH]2)c1
InChIInChI=1S/C13H16N4O3/c1-17(7-12-14-8-15-16-12)13(18)10-6-9(19-2)4-5-11(10)20-3/h4-6,8H,7H2,1-3H3,(H,14,15,16)
InChIKeyLLMWQZHFFIJVSB-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.09
Rot. Bonds5

About 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 64510726) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID64510726
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCOc1ccc(OC)c(C(=O)N(C)Cc2ncn[nH]2)c1
InChIInChI=1S/C13H16N4O3/c1-17(7-12-14-8-15-16-12)13(18)10-6-9(19-2)4-5-11(10)20-3/h4-6,8H,7H2,1-3H3,(H,14,15,16)
InChIKeyLLMWQZHFFIJVSB-UHFFFAOYSA-N
XLogP1.09
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510321
2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531620
4-ethoxy-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510859
4-methoxy-N-methyl-3-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511043
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
5-amino-2-(dimethylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512131
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-methylbenzamide
CID 18112540
3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510575
2-hydroxy-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512827
2-amino-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64511759
3-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64950914

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 64510726) is 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is COc1ccc(OC)c(C(=O)N(C)Cc2ncn[nH]2)c1.
What is the InChIKey of 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is LLMWQZHFFIJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-17(7-12-14-8-15-16-12)13(18)10-6-9(19-2)4-5-11(10)20-3/h4-6,8H,7H2,1-3H3,(H,14,15,16).
What are the key properties of 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 276.30 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 64510726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).