5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole

C10H10N8O — CID 861082

IUPAC5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESCOc1cccc(-c2nnn(Cc3nn[nH]n3)n2)c1
InChIInChI=1S/C10H10N8O/c1-19-8-4-2-3-7(5-8)10-13-17-18(14-10)6-9-11-15-16-12-9/h2-5H,6H2,1H3,(H,11,12,15,16)
InChIKeyMWMLSWDZXKJDSM-UHFFFAOYSA-N
MW258.25 g/mol
LogP-0.09
Rot. Bonds4

About 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole

5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole (PubChem CID 861082) has the molecular formula C10H10N8O and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
PubChem CID861082
Molecular FormulaC10H10N8O
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole
SMILESCOc1cccc(-c2nnn(Cc3nn[nH]n3)n2)c1
InChIInChI=1S/C10H10N8O/c1-19-8-4-2-3-7(5-8)10-13-17-18(14-10)6-9-11-15-16-12-9/h2-5H,6H2,1H3,(H,11,12,15,16)
InChIKeyMWMLSWDZXKJDSM-UHFFFAOYSA-N
XLogP-0.09
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
The IUPAC name of 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole (CID 861082) is 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
The canonical SMILES for 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole is COc1cccc(-c2nnn(Cc3nn[nH]n3)n2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
The InChIKey is MWMLSWDZXKJDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N8O/c1-19-8-4-2-3-7(5-8)10-13-17-18(14-10)6-9-11-15-16-12-9/h2-5H,6H2,1H3,(H,11,12,15,16).
What are the key properties of 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole?
5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole has a molecular weight of 258.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2-(2H-tetrazol-5-ylmethyl)tetrazole is sourced from PubChem (CID 861082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).