N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide

C13H15N5O3 — CID 83097711

IUPACN-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1n[nH]c(NC(=O)CNC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-8-3-5-9(6-4-8)11(20)14-7-10(19)15-12-16-13(21-2)18-17-12/h3-6H,7H2,1-2H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeyNURWUIJJAXGRJV-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.49
Rot. Bonds5

About N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide

N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide (PubChem CID 83097711) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
PubChem CID83097711
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC NameN-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
SMILESCOc1n[nH]c(NC(=O)CNC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C13H15N5O3/c1-8-3-5-9(6-4-8)11(20)14-7-10(19)15-12-16-13(21-2)18-17-12/h3-6H,7H2,1-2H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeyNURWUIJJAXGRJV-UHFFFAOYSA-N
XLogP0.49
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(acetamidomethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83090297
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
CID 83092656
4-(chloromethyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 83102350
2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83092748
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-propan-2-ylbenzamide
CID 83086635
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 43546705
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzamide
CID 83090269
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide (CID 83097711) is N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide is COc1n[nH]c(NC(=O)CNC(=O)c2ccc(C)cc2)n1.
What is the InChIKey of N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is NURWUIJJAXGRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-3-5-9(6-4-8)11(20)14-7-10(19)15-12-16-13(21-2)18-17-12/h3-6H,7H2,1-2H3,(H,14,20)(H2,15,16,17,18,19).
What are the key properties of N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide?
N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 289.30 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 83097711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).