2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide

C15H12N8O — CID 154818129

IUPAC2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(-c2cccc3n[nH]nc23)n(-c2ccccn2)n1
InChIInChI=1S/C15H12N8O/c16-11(24)8-12-18-15(23(21-12)13-6-1-2-7-17-13)9-4-3-5-10-14(9)20-22-19-10/h1-7H,8H2,(H2,16,24)(H,19,20,22)
InChIKeyUNRLMNGRIRTTTD-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.63
Rot. Bonds4

About 2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide

2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide (PubChem CID 154818129) has the molecular formula C15H12N8O and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide
PubChem CID154818129
Molecular FormulaC15H12N8O
Molecular Weight320.32 g/mol
Exact Mass320.11
IUPAC Name2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide
SMILESNC(=O)Cc1nc(-c2cccc3n[nH]nc23)n(-c2ccccn2)n1
InChIInChI=1S/C15H12N8O/c16-11(24)8-12-18-15(23(21-12)13-6-1-2-7-17-13)9-4-3-5-10-14(9)20-22-19-10/h1-7H,8H2,(H2,16,24)(H,19,20,22)
InChIKeyUNRLMNGRIRTTTD-UHFFFAOYSA-N
XLogP0.63
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-ethyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)phenol
CID 171716324
2-[5-(2H-benzotriazol-4-yl)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146040047
2-[1-tert-butyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 137214520
phenyl 2-(2H-benzotriazol-4-yl)benzoate
CID 20556611
2,3-dimethyl-5-[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]benzenesulfonamide
CID 50976916
2-[5-[2-(dimethylamino)-4-methylpyrimidin-5-yl]-1-pyridin-4-yl-1,2,4-triazol-3-yl]acetamide
CID 131932550
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
ethyl 2H-benzotriazole-4-carboxylate
CID 14534407
4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide
CID 175246276
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-[4-[2-[(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56550479

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide (CID 154818129) is 2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide is NC(=O)Cc1nc(-c2cccc3n[nH]nc23)n(-c2ccccn2)n1.
What is the InChIKey of 2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is UNRLMNGRIRTTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8O/c16-11(24)8-12-18-15(23(21-12)13-6-1-2-7-17-13)9-4-3-5-10-14(9)20-22-19-10/h1-7H,8H2,(H2,16,24)(H,19,20,22).
What are the key properties of 2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide?
2-[5-(2H-benzotriazol-4-yl)-1-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 320.32 g/mol, XLogP of 0.63, 4 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-pyridin-2-yl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 154818129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).