2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol

C9H10N6O2 — CID 937453

IUPAC2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(C=Nn2nnnc2N)c1O
InChIInChI=1S/C9H10N6O2/c1-17-7-4-2-3-6(8(7)16)5-11-15-9(10)12-13-14-15/h2-5,16H,1H3,(H2,10,12,14)
InChIKeyUMZQLVUWWATCST-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.15
Rot. Bonds3

About 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol

2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol (PubChem CID 937453) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol
PubChem CID937453
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol
SMILESCOc1cccc(C=Nn2nnnc2N)c1O
InChIInChI=1S/C9H10N6O2/c1-17-7-4-2-3-6(8(7)16)5-11-15-9(10)12-13-14-15/h2-5,16H,1H3,(H2,10,12,14)
InChIKeyUMZQLVUWWATCST-UHFFFAOYSA-N
XLogP-0.15
TPSA111.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol (CID 937453) is 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol is COc1cccc(C=Nn2nnnc2N)c1O.
What is the InChIKey of 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
The InChIKey is UMZQLVUWWATCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-17-7-4-2-3-6(8(7)16)5-11-15-9(10)12-13-14-15/h2-5,16H,1H3,(H2,10,12,14).
What are the key properties of 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol?
2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol has a molecular weight of 234.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminotetrazol-1-yl)iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 937453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).