2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide

C14H17N7O2 — CID 146040047

IUPAC2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(-c2cccc3n[nH]nc23)n(CCOC)n1
InChIInChI=1S/C14H17N7O2/c1-15-12(22)8-11-16-14(21(19-11)6-7-23-2)9-4-3-5-10-13(9)18-20-17-10/h3-5H,6-8H2,1-2H3,(H,15,22)(H,17,18,20)
InChIKeyWUQAMQMFKHFVQO-UHFFFAOYSA-N
MW315.34 g/mol
LogP0.15
Rot. Bonds6

About 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide

2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide (PubChem CID 146040047) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
PubChem CID146040047
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(-c2cccc3n[nH]nc23)n(CCOC)n1
InChIInChI=1S/C14H17N7O2/c1-15-12(22)8-11-16-14(21(19-11)6-7-23-2)9-4-3-5-10-13(9)18-20-17-10/h3-5H,6-8H2,1-2H3,(H,15,22)(H,17,18,20)
InChIKeyWUQAMQMFKHFVQO-UHFFFAOYSA-N
XLogP0.15
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide
CID 154818129
2-[5-(4,6-dimethyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146040535
2-[5-(3,5-dimethylimidazol-4-yl)-1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 155505274
2-[5-(1,3-benzothiazol-7-yl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid
CID 163340605
2-(2-methoxyethyl)indazole-3-carboxylic acid
CID 68710957
2H-benzotriazol-4-yl-(4-methoxyphenyl)methanone
CID 152779914
phenyl 2-(2H-benzotriazol-4-yl)benzoate
CID 20556611
ethyl 2H-benzotriazole-4-carboxylate
CID 14534407
2-[5-(5-cyclopropyl-1-methylpyrazol-3-yl)-1-(3-hydroxypropyl)-1,2,4-triazol-3-yl]-N-methylacetamide;formic acid
CID 154924086
3-[1-(2-methoxyethyl)benzimidazol-2-yl]-2-methylphenol
CID 82809436
2-amino-5-(2H-benzotriazol-4-yl)-N-methylpentanamide
CID 175536670
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-(methylamino)acetamide
CID 119767695

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide (CID 146040047) is 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide is CNC(=O)Cc1nc(-c2cccc3n[nH]nc23)n(CCOC)n1.
What is the InChIKey of 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide?
The InChIKey is WUQAMQMFKHFVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2/c1-15-12(22)8-11-16-14(21(19-11)6-7-23-2)9-4-3-5-10-13(9)18-20-17-10/h3-5H,6-8H2,1-2H3,(H,15,22)(H,17,18,20).
What are the key properties of 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide?
2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide has a molecular weight of 315.34 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 146040047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).