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

C10H11N7O2 — CID 685090

IUPAC2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESNc1nnnn1CC(=O)NN=Cc1ccccc1O
InChIInChI=1S/C10H11N7O2/c11-10-14-15-16-17(10)6-9(19)13-12-5-7-3-1-2-4-8(7)18/h1-5,18H,6H2,(H,13,19)(H2,11,14,16)
InChIKeyNFDBKHSIGXEDPY-UHFFFAOYSA-N
MW261.25 g/mol
LogP-0.89
Rot. Bonds4

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

2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 685090) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID685090
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESNc1nnnn1CC(=O)NN=Cc1ccccc1O
InChIInChI=1S/C10H11N7O2/c11-10-14-15-16-17(10)6-9(19)13-12-5-7-3-1-2-4-8(7)18/h1-5,18H,6H2,(H,13,19)(H2,11,14,16)
InChIKeyNFDBKHSIGXEDPY-UHFFFAOYSA-N
XLogP-0.89
TPSA131.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide (CID 685090) is 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide is Nc1nnnn1CC(=O)NN=Cc1ccccc1O.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is NFDBKHSIGXEDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c11-10-14-15-16-17(10)6-9(19)13-12-5-7-3-1-2-4-8(7)18/h1-5,18H,6H2,(H,13,19)(H2,11,14,16).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 261.25 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-[(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 685090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).