ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate

C13H12N6O2 — CID 82564184

IUPACethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2nc3cc(C#N)ccc3n2[nH]1
InChIInChI=1S/C13H12N6O2/c1-2-21-11(20)7-15-12-17-13-16-9-5-8(6-14)3-4-10(9)19(13)18-12/h3-5H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyNKWMBCLMMKSXEJ-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.06
Rot. Bonds4

About ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate

ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate (PubChem CID 82564184) has the molecular formula C13H12N6O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
PubChem CID82564184
Molecular FormulaC13H12N6O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Nameethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2nc3cc(C#N)ccc3n2[nH]1
InChIInChI=1S/C13H12N6O2/c1-2-21-11(20)7-15-12-17-13-16-9-5-8(6-14)3-4-10(9)19(13)18-12/h3-5H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyNKWMBCLMMKSXEJ-UHFFFAOYSA-N
XLogP1.06
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate with MolForge

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Related Compounds

ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82563616
ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564241
ethyl 2-[(6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82563746
N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82564153
ethyl 2-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564056
ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
CID 83074601
ethyl 2-(5-chloro-2-methylanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564033
ethyl 2-(5-cyano-2-nitroanilino)acetate
CID 104713478
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
3-[(6,7-dimethoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]benzonitrile
CID 82563886
2-[(4-fluorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563998
ethyl 2-[2-[(4-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
CID 23610612

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate (CID 82564184) is ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate is CCOC(=O)CNc1nc2nc3cc(C#N)ccc3n2[nH]1.
What is the InChIKey of ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The InChIKey is NKWMBCLMMKSXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2/c1-2-21-11(20)7-15-12-17-13-16-9-5-8(6-14)3-4-10(9)19(13)18-12/h3-5H,2,7H2,1H3,(H2,15,16,17,18).
What are the key properties of ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate has a molecular weight of 284.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate is sourced from PubChem (CID 82564184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).