5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole

C10H10N6O — CID 10751919

IUPAC5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole
SMILESCOc1ccc(C(=[N+]=[N-])c2nnn(C)n2)cc1
InChIInChI=1S/C10H10N6O/c1-16-14-10(13-15-16)9(12-11)7-3-5-8(17-2)6-4-7/h3-6H,1-2H3
InChIKeyLILLOSYJMSWJPF-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.29
Rot. Bonds3

About 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole

5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole (PubChem CID 10751919) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole
PubChem CID10751919
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole
SMILESCOc1ccc(C(=[N+]=[N-])c2nnn(C)n2)cc1
InChIInChI=1S/C10H10N6O/c1-16-14-10(13-15-16)9(12-11)7-3-5-8(17-2)6-4-7/h3-6H,1-2H3
InChIKeyLILLOSYJMSWJPF-UHFFFAOYSA-N
XLogP0.29
TPSA89.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole?
The IUPAC name of 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole (CID 10751919) is 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole.
What is the SMILES notation for 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole?
The canonical SMILES for 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole is COc1ccc(C(=[N+]=[N-])c2nnn(C)n2)cc1.
What is the InChIKey of 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole?
The InChIKey is LILLOSYJMSWJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-16-14-10(13-15-16)9(12-11)7-3-5-8(17-2)6-4-7/h3-6H,1-2H3.
What are the key properties of 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole?
5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole has a molecular weight of 230.23 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diazo-(4-methoxyphenyl)methyl]-2-methyltetrazole is sourced from PubChem (CID 10751919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).