2-[(5-methyltetrazol-1-yl)iminomethyl]phenol

C9H9N5O — CID 173379410

IUPAC2-[(5-methyltetrazol-1-yl)iminomethyl]phenol
SMILESCc1nnnn1N=Cc1ccccc1O
InChIInChI=1S/C9H9N5O/c1-7-11-12-13-14(7)10-6-8-4-2-3-5-9(8)15/h2-6,15H,1H3
InChIKeyJIATWGFWEGCRJW-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.57
Rot. Bonds2

About 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol

2-[(5-methyltetrazol-1-yl)iminomethyl]phenol (PubChem CID 173379410) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(5-methyltetrazol-1-yl)iminomethyl]phenol
PubChem CID173379410
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name2-[(5-methyltetrazol-1-yl)iminomethyl]phenol
SMILESCc1nnnn1N=Cc1ccccc1O
InChIInChI=1S/C9H9N5O/c1-7-11-12-13-14(7)10-6-8-4-2-3-5-9(8)15/h2-6,15H,1H3
InChIKeyJIATWGFWEGCRJW-UHFFFAOYSA-N
XLogP0.57
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

2-[(4-aminophenyl)-[2-hydroxy-4-[(5-methyltetrazol-1-yl)iminomethyl]phenyl]-phenylmethyl]-5-[(5-methyltetrazol-1-yl)iminomethyl]phenol
CID 57314188
2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-propan-2-ylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol
CID 135514650
2-[(E)-[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenol
CID 135439758
2-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenol
CID 3889042
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
2-[[(4-amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]methyl]phenol;hydrochloride
CID 136666616
2-(carbazol-9-yliminomethyl)phenol
CID 691316
2-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-4-chlorophenol
CID 135537509
zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397
2-[[2-hydroxy-5-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenyl]-(3-methylsulfinylphenyl)methyl]-4-[(E)-(5-methyltetrazol-1-yl)iminomethyl]phenol
CID 135546269
1-[4-[(2-hydroxyphenyl)methylideneamino]-5-(2-oxopropyl)-1,2,4-triazol-3-yl]propan-2-one
CID 3259409

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol?
The IUPAC name of 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol (CID 173379410) is 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol is Cc1nnnn1N=Cc1ccccc1O.
What is the InChIKey of 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol?
The InChIKey is JIATWGFWEGCRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-7-11-12-13-14(7)10-6-8-4-2-3-5-9(8)15/h2-6,15H,1H3.
What are the key properties of 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol?
2-[(5-methyltetrazol-1-yl)iminomethyl]phenol has a molecular weight of 203.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyltetrazol-1-yl)iminomethyl]phenol is sourced from PubChem (CID 173379410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).