(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene

C9H10N6O — CID 170922069

IUPAC(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene
SMILESCOc1ccc(C/N=N/c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N6O/c1-16-8-4-2-7(3-5-8)6-10-11-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,12,13,14,15)/b11-10+
InChIKeyLDKCRZSWTDGPIH-ZHACJKMWSA-N
MW218.22 g/mol
LogP1.49
Rot. Bonds4

About (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene

(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene (PubChem CID 170922069) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene
PubChem CID170922069
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene
SMILESCOc1ccc(C/N=N/c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N6O/c1-16-8-4-2-7(3-5-8)6-10-11-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,12,13,14,15)/b11-10+
InChIKeyLDKCRZSWTDGPIH-ZHACJKMWSA-N
XLogP1.49
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene?
The IUPAC name of (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene (CID 170922069) is (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene.
What is the SMILES notation for (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene?
The canonical SMILES for (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene is COc1ccc(C/N=N/c2nn[nH]n2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene?
The InChIKey is LDKCRZSWTDGPIH-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H10N6O/c1-16-8-4-2-7(3-5-8)6-10-11-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,12,13,14,15)/b11-10+.
What are the key properties of (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene?
(4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene has a molecular weight of 218.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-(2H-tetrazol-5-yl)diazene is sourced from PubChem (CID 170922069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).