2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

C10H10N8O4 — CID 135460423

IUPAC2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESNc1nnnn1CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H10N8O4/c11-10-14-15-16-17(10)5-9(20)13-12-4-6-3-7(18(21)22)1-2-8(6)19/h1-4,19H,5H2,(H,13,20)(H2,11,14,16)/b12-4+
InChIKeyUFLSWVAUWKJNPK-UUILKARUSA-N
MW306.24 g/mol
LogP-0.98
Rot. Bonds5

About 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide

2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 135460423) has the molecular formula C10H10N8O4 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID135460423
Molecular FormulaC10H10N8O4
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESNc1nnnn1CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H10N8O4/c11-10-14-15-16-17(10)5-9(20)13-12-4-6-3-7(18(21)22)1-2-8(6)19/h1-4,19H,5H2,(H,13,20)(H2,11,14,16)/b12-4+
InChIKeyUFLSWVAUWKJNPK-UUILKARUSA-N
XLogP-0.98
TPSA174.45 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-(1H-1,2,4-triazol-1-yl)acetohydrazide
CID 135650573
(5-Phenyl-tetrazol-2-yl)-acetic acid (2-hydroxy-5-nitro-benzylidene)-hydrazide
CID 135411808
4-Nitro-2-[(E)-[1,2,4]triazol-4-yliminomethyl]-phenol
CID 135521466
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 3098921
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 3384901
4-Nitro-2-(1,2,4-triazol-4-yliminomethyl)phenol
CID 775398
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3101648
4-nitro-2-(1H-1,2,4-triazol-5-yliminomethyl)phenol
CID 3428849
N'-[(E)-(2-Hydroxy-5-nitrophenyl)methylidene]-2-(3-nitro-1H-1,2,4-triazol-1-YL)acetohydrazide
CID 135588582
4-Nitro-2-[(E)-[(1H-1,2,4-triazol-1-YL)imino]methyl]phenol
CID 135614791
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 135682502
4-Nitro-2-[(E)-(1H-1,2,4-triazol-3-ylimino)methyl]phenol
CID 135400475

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 135460423) is 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is Nc1nnnn1CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is UFLSWVAUWKJNPK-UUILKARUSA-N. The full InChI is InChI=1S/C10H10N8O4/c11-10-14-15-16-17(10)5-9(20)13-12-4-6-3-7(18(21)22)1-2-8(6)19/h1-4,19H,5H2,(H,13,20)(H2,11,14,16)/b12-4+.
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide has a molecular weight of 306.24 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 135460423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).