1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate

C12H9N6O- — CID 7065258

IUPAC1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate
SMILES[O-]c1ccc2ccccc2c1/C=N\Nc1nn[nH]n1
InChIInChI=1S/C12H10N6O/c19-11-6-5-8-3-1-2-4-9(8)10(11)7-13-14-12-15-17-18-16-12/h1-7,19H,(H2,14,15,16,17,18)/p-1/b13-7-
InChIKeySIDSDJZHUIIWQR-QPEQYQDCSA-M
MW253.25 g/mol
LogP0.87
Rot. Bonds3

About 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate

1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate (PubChem CID 7065258) has the molecular formula C12H9N6O- and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate.

Molecular Properties

Compound Name1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate
PubChem CID7065258
Molecular FormulaC12H9N6O-
Molecular Weight253.25 g/mol
Exact Mass253.08
IUPAC Name1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate
SMILES[O-]c1ccc2ccccc2c1/C=N\Nc1nn[nH]n1
InChIInChI=1S/C12H10N6O/c19-11-6-5-8-3-1-2-4-9(8)10(11)7-13-14-12-15-17-18-16-12/h1-7,19H,(H2,14,15,16,17,18)/p-1/b13-7-
InChIKeySIDSDJZHUIIWQR-QPEQYQDCSA-M
XLogP0.87
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenolate
CID 7202940
N-[(4-ethylphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 4153256
N-[(Z)-1H-pyrrol-2-ylmethylideneamino]-2H-tetrazol-5-amine
CID 137127491
4-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135400458
copper bis(1-[[(1R)-1-phenylethyl]iminomethyl]naphthalen-2-olate)
CID 139163460
N-[(Z)-[(2R)-2-phenylpropylidene]amino]-2H-tetrazol-5-amine
CID 26975194
1-(2H-tetrazol-5-yliminomethyl)naphthalen-2-ol
CID 136695197
1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 2848301
N-(anthracen-9-ylmethylideneamino)-5-phenyl-1,2,4-triazin-3-amine
CID 6834108
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
1-[(Z)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 136767772
methanol;molybdenum;1-[(2-oxidophenyl)iminomethyl]naphthalen-2-olate;bis(oxygen(2-))
CID 139049394

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate?
The IUPAC name of 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate (CID 7065258) is 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate.
What is the SMILES notation for 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate?
The canonical SMILES for 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate is [O-]c1ccc2ccccc2c1/C=N\Nc1nn[nH]n1.
What is the InChIKey of 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate?
The InChIKey is SIDSDJZHUIIWQR-QPEQYQDCSA-M. The full InChI is InChI=1S/C12H10N6O/c19-11-6-5-8-3-1-2-4-9(8)10(11)7-13-14-12-15-17-18-16-12/h1-7,19H,(H2,14,15,16,17,18)/p-1/b13-7-.
What are the key properties of 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate?
1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate has a molecular weight of 253.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(2H-tetrazol-5-ylhydrazinylidene)methyl]naphthalen-2-olate is sourced from PubChem (CID 7065258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).