(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine

C9H9N5O — CID 10798180

IUPAC(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine
SMILESCOc1ccc(/C=N/c2nn[nH]n2)cc1
InChIInChI=1S/C9H9N5O/c1-15-8-4-2-7(3-5-8)6-10-9-11-13-14-12-9/h2-6H,1H3,(H,11,12,13,14)/b10-6+
InChIKeyGZYMXGNICQTKEV-UXBLZVDNSA-N
MW203.21 g/mol
LogP0.96
Rot. Bonds3

About (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine

(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine (PubChem CID 10798180) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine
PubChem CID10798180
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine
SMILESCOc1ccc(/C=N/c2nn[nH]n2)cc1
InChIInChI=1S/C9H9N5O/c1-15-8-4-2-7(3-5-8)6-10-9-11-13-14-12-9/h2-6H,1H3,(H,11,12,13,14)/b10-6+
InChIKeyGZYMXGNICQTKEV-UXBLZVDNSA-N
XLogP0.96
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-methoxyphenyl)-N-pyrimidin-2-ylmethanimine
CID 10846258
(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene
CID 170922069
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
(E)-N-[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]-1-(4-methoxyphenyl)methanimine
CID 155812207
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
1-(4-methoxyphenyl)-N-(5-methyl-10H-[1,2,4]triazino[6,5-b]quinoxalin-3-yl)methanimine
CID 23791227
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
1-(4-methoxyphenyl)-N-triethylsilylmethanimine
CID 122380757
1-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 12643120
6-[(4-methoxyphenyl)methylideneamino]-1H-pyrimidine-2,4-dione
CID 71382029
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine (CID 10798180) is (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine is COc1ccc(/C=N/c2nn[nH]n2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine?
The InChIKey is GZYMXGNICQTKEV-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H9N5O/c1-15-8-4-2-7(3-5-8)6-10-9-11-13-14-12-9/h2-6H,1H3,(H,11,12,13,14)/b10-6+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine?
(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine has a molecular weight of 203.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine is sourced from PubChem (CID 10798180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).