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

C8H8N6O — CID 135400459

IUPAC4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol
SMILESNc1nnnn1/N=C/c1ccc(O)cc1
InChIInChI=1S/C8H8N6O/c9-8-11-12-13-14(8)10-5-6-1-3-7(15)4-2-6/h1-5,15H,(H2,9,11,13)/b10-5+
InChIKeyKFHIRLBEHFSPGI-BJMVGYQFSA-N
MW204.19 g/mol
LogP-0.16
Rot. Bonds2

About 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol

4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol (PubChem CID 135400459) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol
PubChem CID135400459
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol
SMILESNc1nnnn1/N=C/c1ccc(O)cc1
InChIInChI=1S/C8H8N6O/c9-8-11-12-13-14(8)10-5-6-1-3-7(15)4-2-6/h1-5,15H,(H2,9,11,13)/b10-5+
InChIKeyKFHIRLBEHFSPGI-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': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Hydroxybenzaldehyde thiosemicarbazone
CID 135408731
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]urea
CID 135458727
4-Hydroxybenzaldehyde semicarbazone
CID 135400267
1,3-Bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea
CID 135460538
2-(5-amino-2H-tetrazol-2-yl)-N'-[(E)-(4-hydroxyphenyl)methylidene]acetohydrazide
CID 135603302
2-hydroxybenzaldehyde 1H-tetrazol-5-ylhydrazone
CID 135504452
4-[(4H-1,2,4-triazol-4-ylimino)methyl]benzenol
CID 135400472
2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-4-bromophenol
CID 135504321
2-[(5-Amino-tetrazol-1-ylimino)-methyl]-4-chloro-phenol
CID 135537509
2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}phenol
CID 135504325
Benzaldehyde, p-hydroxy-, thiosemicarbazone
CID 135499640
Hydrazinecarbothioamide, 2-[(4-hydroxyphenyl)methylene]-
CID 723238

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol?
The IUPAC name of 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol (CID 135400459) is 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol.
What is the SMILES notation for 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol?
The canonical SMILES for 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol is Nc1nnnn1/N=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol?
The InChIKey is KFHIRLBEHFSPGI-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H8N6O/c9-8-11-12-13-14(8)10-5-6-1-3-7(15)4-2-6/h1-5,15H,(H2,9,11,13)/b10-5+.
What are the key properties of 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol?
4-[(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 4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135400459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).