5-(2,6-dimethoxyphenyl)-2H-tetrazole

C9H10N4O2 — CID 10726952

IUPAC5-(2,6-dimethoxyphenyl)-2H-tetrazole
SMILESCOc1cccc(OC)c1-c1nn[nH]n1
InChIInChI=1S/C9H10N4O2/c1-14-6-4-3-5-7(15-2)8(6)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyKDECDYWKUGYYHB-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.88
Rot. Bonds3

About 5-(2,6-dimethoxyphenyl)-2H-tetrazole

5-(2,6-dimethoxyphenyl)-2H-tetrazole (PubChem CID 10726952) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-2H-tetrazole
PubChem CID10726952
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-(2,6-dimethoxyphenyl)-2H-tetrazole
SMILESCOc1cccc(OC)c1-c1nn[nH]n1
InChIInChI=1S/C9H10N4O2/c1-14-6-4-3-5-7(15-2)8(6)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13)
InChIKeyKDECDYWKUGYYHB-UHFFFAOYSA-N
XLogP0.88
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-[2-fluoro-6-(4-fluorophenoxy)phenyl]-2H-tetrazole
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5-(2,4-dimethoxyphenyl)-2H-tetrazole
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CID 90849315
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
5-[2-(difluoromethoxy)phenyl]-2H-tetrazole
CID 7017704
N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
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2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
(3S,4aR,6S,8aR)-6-[3-methoxy-2-(2H-tetrazol-5-yl)anilino]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid;hydrochloride
CID 72544188

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-2H-tetrazole?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-2H-tetrazole (CID 10726952) is 5-(2,6-dimethoxyphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-2H-tetrazole?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-2H-tetrazole is COc1cccc(OC)c1-c1nn[nH]n1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-2H-tetrazole?
The InChIKey is KDECDYWKUGYYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-14-6-4-3-5-7(15-2)8(6)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13).
What are the key properties of 5-(2,6-dimethoxyphenyl)-2H-tetrazole?
5-(2,6-dimethoxyphenyl)-2H-tetrazole has a molecular weight of 206.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-2H-tetrazole is sourced from PubChem (CID 10726952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).