1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole

C11H16N4O — CID 141423813

IUPAC1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole
SMILESCOCc1c(C)cccc1N1CN(C)N=N1
InChIInChI=1S/C11H16N4O/c1-9-5-4-6-11(10(9)7-16-3)15-8-14(2)12-13-15/h4-6H,7-8H2,1-3H3
InChIKeyUOLMDYQNNOXJKH-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole

1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole (PubChem CID 141423813) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole
PubChem CID141423813
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole
SMILESCOCc1c(C)cccc1N1CN(C)N=N1
InChIInChI=1S/C11H16N4O/c1-9-5-4-6-11(10(9)7-16-3)15-8-14(2)12-13-15/h4-6H,7-8H2,1-3H3
InChIKeyUOLMDYQNNOXJKH-UHFFFAOYSA-N
XLogP2.13
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole?
The IUPAC name of 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole (CID 141423813) is 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole.
What is the SMILES notation for 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole?
The canonical SMILES for 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole is COCc1c(C)cccc1N1CN(C)N=N1.
What is the InChIKey of 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole?
The InChIKey is UOLMDYQNNOXJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9-5-4-6-11(10(9)7-16-3)15-8-14(2)12-13-15/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole?
1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole has a molecular weight of 220.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-3-methylphenyl]-4-methyl-5H-tetrazole is sourced from PubChem (CID 141423813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).