5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole

C12H14N8O2 — CID 654549

IUPAC5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole
SMILESCOc1ccc(-c2nnn(CCc3nn[nH]n3)n2)cc1OC
InChIInChI=1S/C12H14N8O2/c1-21-9-4-3-8(7-10(9)22-2)12-15-19-20(16-12)6-5-11-13-17-18-14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14,17,18)
InChIKeyMSVVJBLSJAKQLV-UHFFFAOYSA-N
MW302.30 g/mol
LogP0.11
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole

5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole (PubChem CID 654549) has the molecular formula C12H14N8O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole
PubChem CID654549
Molecular FormulaC12H14N8O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole
SMILESCOc1ccc(-c2nnn(CCc3nn[nH]n3)n2)cc1OC
InChIInChI=1S/C12H14N8O2/c1-21-9-4-3-8(7-10(9)22-2)12-15-19-20(16-12)6-5-11-13-17-18-14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14,17,18)
InChIKeyMSVVJBLSJAKQLV-UHFFFAOYSA-N
XLogP0.11
TPSA116.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole (CID 654549) is 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole is COc1ccc(-c2nnn(CCc3nn[nH]n3)n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole?
The InChIKey is MSVVJBLSJAKQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O2/c1-21-9-4-3-8(7-10(9)22-2)12-15-19-20(16-12)6-5-11-13-17-18-14-11/h3-4,7H,5-6H2,1-2H3,(H,13,14,17,18).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole?
5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole has a molecular weight of 302.30 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-[2-(2H-tetrazol-5-yl)ethyl]tetrazole is sourced from PubChem (CID 654549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).