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

C10H10N8O4 — CID 3098921

IUPAC2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESNc1nnnn1CC(=O)NN=Cc1cc([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)
InChIKeyUFLSWVAUWKJNPK-UHFFFAOYSA-N
MW306.24 g/mol
LogP-0.98
Rot. Bonds5

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

2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (PubChem CID 3098921) has the molecular formula C10H10N8O4 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
PubChem CID3098921
Molecular FormulaC10H10N8O4
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
SMILESNc1nnnn1CC(=O)NN=Cc1cc([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)
InChIKeyUFLSWVAUWKJNPK-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide (CID 3098921) is 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is Nc1nnnn1CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
The InChIKey is UFLSWVAUWKJNPK-UHFFFAOYSA-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).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(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-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 3098921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).