3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol

C8H8N6O — CID 6858639

IUPAC3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol
SMILESNc1nnnn1/N=C/c1cccc(O)c1
InChIInChI=1S/C8H8N6O/c9-8-11-12-13-14(8)10-5-6-2-1-3-7(15)4-6/h1-5,15H,(H2,9,11,13)/b10-5+
InChIKeyIRUURIPRUATDGG-BJMVGYQFSA-N
MW204.19 g/mol
LogP-0.16
Rot. Bonds2

About 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol

3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol (PubChem CID 6858639) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol
PubChem CID6858639
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol
SMILESNc1nnnn1/N=C/c1cccc(O)c1
InChIInChI=1S/C8H8N6O/c9-8-11-12-13-14(8)10-5-6-2-1-3-7(15)4-6/h1-5,15H,(H2,9,11,13)/b10-5+
InChIKeyIRUURIPRUATDGG-BJMVGYQFSA-N
XLogP-0.16
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol?
The IUPAC name of 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol (CID 6858639) is 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol.
What is the SMILES notation for 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol?
The canonical SMILES for 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol is Nc1nnnn1/N=C/c1cccc(O)c1.
What is the InChIKey of 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol?
The InChIKey is IRUURIPRUATDGG-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8N6O/c9-8-11-12-13-14(8)10-5-6-2-1-3-7(15)4-6/h1-5,15H,(H2,9,11,13)/b10-5+.
What are the key properties of 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol?
3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol has a molecular weight of 204.19 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol is sourced from PubChem (CID 6858639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).