N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide

C12H10N6O4 — CID 135901695

IUPACN-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
SMILESO=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N6O4/c19-10(15-7-3-1-2-4-8(7)18(21)22)5-9-11(20)16-12-13-6-14-17(9)12/h1-4,6,9H,5H2,(H,15,19)(H,13,14,16,20)/t9-/m0/s1
InChIKeyTUZZKIFBHBHDSN-VIFPVBQESA-N
MW302.25 g/mol
LogP0.71
Rot. Bonds4

About N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide

N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide (PubChem CID 135901695) has the molecular formula C12H10N6O4 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
PubChem CID135901695
Molecular FormulaC12H10N6O4
Molecular Weight302.25 g/mol
Exact Mass302.08
IUPAC NameN-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
SMILESO=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H10N6O4/c19-10(15-7-3-1-2-4-8(7)18(21)22)5-9-11(20)16-12-13-6-14-17(9)12/h1-4,6,9H,5H2,(H,15,19)(H,13,14,16,20)/t9-/m0/s1
InChIKeyTUZZKIFBHBHDSN-VIFPVBQESA-N
XLogP0.71
TPSA132.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135904030
N-(3-chloro-2-methylphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901864
N-(4-bromophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135629415
N-(3,5-dichlorophenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135902521
2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135904215
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 135902161
N-(2-nitrophenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135816473
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
2-[(2Z,5R)-2-(1,3-dioxoisoindol-2-yl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-nitrophenyl)acetamide
CID 136905035
N-(4-methyl-3-nitrophenyl)-2-[(6S)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875235
N-(2-nitrophenyl)-2-(4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-yl)acetamide
CID 135449402

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
The IUPAC name of N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide (CID 135901695) is N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
The canonical SMILES for N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide is O=C(C[C@H]1C(=O)Nc2ncnn21)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
The InChIKey is TUZZKIFBHBHDSN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H10N6O4/c19-10(15-7-3-1-2-4-8(7)18(21)22)5-9-11(20)16-12-13-6-14-17(9)12/h1-4,6,9H,5H2,(H,15,19)(H,13,14,16,20)/t9-/m0/s1.
What are the key properties of N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide?
N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide has a molecular weight of 302.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-[(6S)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide is sourced from PubChem (CID 135901695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).