2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide

C10H10ClN7O — CID 6884550

IUPAC2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2cccc(Cl)c2)n1
InChIInChI=1S/C10H10ClN7O/c11-8-3-1-2-7(4-8)5-13-14-9(19)6-18-16-10(12)15-17-18/h1-5H,6H2,(H2,12,16)(H,14,19)/b13-5+
InChIKeyIHJLSAGNNFGNHK-WLRTZDKTSA-N
MW279.69 g/mol
LogP0.06
Rot. Bonds4

About 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide (PubChem CID 6884550) has the molecular formula C10H10ClN7O and a molecular weight of 279.69 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
PubChem CID6884550
Molecular FormulaC10H10ClN7O
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide
SMILESNc1nnn(CC(=O)N/N=C/c2cccc(Cl)c2)n1
InChIInChI=1S/C10H10ClN7O/c11-8-3-1-2-7(4-8)5-13-14-9(19)6-18-16-10(12)15-17-18/h1-5H,6H2,(H2,12,16)(H,14,19)/b13-5+
InChIKeyIHJLSAGNNFGNHK-WLRTZDKTSA-N
XLogP0.06
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide (CID 6884550) is 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide is Nc1nnn(CC(=O)N/N=C/c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide?
The InChIKey is IHJLSAGNNFGNHK-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H10ClN7O/c11-8-3-1-2-7(4-8)5-13-14-9(19)6-18-16-10(12)15-17-18/h1-5H,6H2,(H2,12,16)(H,14,19)/b13-5+.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide has a molecular weight of 279.69 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6884550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).