4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide

C9H10N6O2 — CID 137006878

IUPAC4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccc(N)c(O)c2)n1
InChIInChI=1S/C9H10N6O2/c1-15-13-9(12-14-15)11-8(17)5-2-3-6(10)7(16)4-5/h2-4,16H,10H2,1H3,(H,11,13,17)
InChIKeyZBRNHTLRVYBLNQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.25
Rot. Bonds2

About 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide

4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 137006878) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID137006878
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccc(N)c(O)c2)n1
InChIInChI=1S/C9H10N6O2/c1-15-13-9(12-14-15)11-8(17)5-2-3-6(10)7(16)4-5/h2-4,16H,10H2,1H3,(H,11,13,17)
InChIKeyZBRNHTLRVYBLNQ-UHFFFAOYSA-N
XLogP-0.25
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide (CID 137006878) is 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide is Cn1nnc(NC(=O)c2ccc(N)c(O)c2)n1.
What is the InChIKey of 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is ZBRNHTLRVYBLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-15-13-9(12-14-15)11-8(17)5-2-3-6(10)7(16)4-5/h2-4,16H,10H2,1H3,(H,11,13,17).
What are the key properties of 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide?
4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 234.22 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 137006878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).