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

C13H15N5O2 — CID 82563616

IUPACethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2nc3cc(C)ccc3n2[nH]1
InChIInChI=1S/C13H15N5O2/c1-3-20-11(19)7-14-12-16-13-15-9-6-8(2)4-5-10(9)18(13)17-12/h4-6H,3,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyMPQOFVPRRJLEHB-UHFFFAOYSA-N
MW273.30 g/mol
LogP1.49
Rot. Bonds4

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

ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate (PubChem CID 82563616) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
PubChem CID82563616
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Nameethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc2nc3cc(C)ccc3n2[nH]1
InChIInChI=1S/C13H15N5O2/c1-3-20-11(19)7-14-12-16-13-15-9-6-8(2)4-5-10(9)18(13)17-12/h4-6H,3,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyMPQOFVPRRJLEHB-UHFFFAOYSA-N
XLogP1.49
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564184
N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82563585
6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563604
ethyl 2-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564056
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
ethyl 2-[2-[(4-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
CID 23610612
ethyl 2-(5-chloro-2-methylanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564033
N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563568
ethyl 3-[5-methyl-2-[(3-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 23610695
ethyl 2-(3-chloro-4-fluoroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564034

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate (CID 82563616) is ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate is CCOC(=O)CNc1nc2nc3cc(C)ccc3n2[nH]1.
What is the InChIKey of ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
The InChIKey is MPQOFVPRRJLEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-20-11(19)7-14-12-16-13-15-9-6-8(2)4-5-10(9)18(13)17-12/h4-6H,3,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate?
ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate has a molecular weight of 273.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate is sourced from PubChem (CID 82563616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).