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

C11H13N7O — CID 6884642

IUPAC2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N/NC(=O)Cn1nnc(N)n1
InChIInChI=1S/C11H13N7O/c1-8-4-2-3-5-9(8)6-13-14-10(19)7-18-16-11(12)15-17-18/h2-6H,7H2,1H3,(H2,12,16)(H,14,19)/b13-6+
InChIKeyPJYDTCXVMZBUHX-AWNIVKPZSA-N
MW259.27 g/mol
LogP-0.29
Rot. Bonds4

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

2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide (PubChem CID 6884642) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
PubChem CID6884642
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N/NC(=O)Cn1nnc(N)n1
InChIInChI=1S/C11H13N7O/c1-8-4-2-3-5-9(8)6-13-14-10(19)7-18-16-11(12)15-17-18/h2-6H,7H2,1H3,(H2,12,16)(H,14,19)/b13-6+
InChIKeyPJYDTCXVMZBUHX-AWNIVKPZSA-N
XLogP-0.29
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.29
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)-(2-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide (CID 6884642) is 2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide is Cc1ccccc1/C=N/NC(=O)Cn1nnc(N)n1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide?
The InChIKey is PJYDTCXVMZBUHX-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H13N7O/c1-8-4-2-3-5-9(8)6-13-14-10(19)7-18-16-11(12)15-17-18/h2-6H,7H2,1H3,(H2,12,16)(H,14,19)/b13-6+.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide has a molecular weight of 259.27 g/mol, XLogP of -0.29, 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)-(2-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6884642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).