(2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide

C13H11N5O3 — CID 135727170

IUPAC(2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide
SMILESCOc1ccccc1NC(=O)/C=c1\c(=O)[nH]c2ncnn12
InChIInChI=1S/C13H11N5O3/c1-21-10-5-3-2-4-8(10)16-11(19)6-9-12(20)17-13-14-7-15-18(9)13/h2-7H,1H3,(H,16,19)(H,14,15,17,20)/b9-6+
InChIKeyAQGMBDOUCTWPEW-RMKNXTFCSA-N
MW285.26 g/mol
LogP-0.44
Rot. Bonds3

About (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide

(2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide (PubChem CID 135727170) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide
PubChem CID135727170
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name(2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide
SMILESCOc1ccccc1NC(=O)/C=c1\c(=O)[nH]c2ncnn12
InChIInChI=1S/C13H11N5O3/c1-21-10-5-3-2-4-8(10)16-11(19)6-9-12(20)17-13-14-7-15-18(9)13/h2-7H,1H3,(H,16,19)(H,14,15,17,20)/b9-6+
InChIKeyAQGMBDOUCTWPEW-RMKNXTFCSA-N
XLogP-0.44
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 16585086
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide
CID 6199592
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837
N-(2-methoxyphenyl)-3-methylbut-2-enamide
CID 19177446
2-imino-N-(2-methoxyphenyl)acetamide
CID 145295181
N-(2-methoxyphenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 2981207
N-(2-methoxyphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135904030
N-(2-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 66505339
N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108213
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 4804076

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide?
The IUPAC name of (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide (CID 135727170) is (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide.
What is the SMILES notation for (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide?
The canonical SMILES for (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide is COc1ccccc1NC(=O)/C=c1\c(=O)[nH]c2ncnn12.
What is the InChIKey of (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide?
The InChIKey is AQGMBDOUCTWPEW-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-21-10-5-3-2-4-8(10)16-11(19)6-9-12(20)17-13-14-7-15-18(9)13/h2-7H,1H3,(H,16,19)(H,14,15,17,20)/b9-6+.
What are the key properties of (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide?
(2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide has a molecular weight of 285.26 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-methoxyphenyl)-2-(5-oxo-4H-imidazo[1,2-b][1,2,4]triazol-6-ylidene)acetamide is sourced from PubChem (CID 135727170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).