5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole

C17H18N8O — CID 159964894

IUPAC5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole
SMILESCOCc1ccc(-c2nn[nH]n2)cc1.Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4O.C8H8N4/c1-14-6-7-2-4-8(5-3-7)9-10-12-13-11-9;1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,6H2,1H3,(H,10,11,12,13);2-5H,1H3,(H,9,10,11,12)
InChIKeyODUPIMUNSSDDHV-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.19
Rot. Bonds4

About 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole

5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole (PubChem CID 159964894) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole
PubChem CID159964894
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole
SMILESCOCc1ccc(-c2nn[nH]n2)cc1.Cc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C9H10N4O.C8H8N4/c1-14-6-7-2-4-8(5-3-7)9-10-12-13-11-9;1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,6H2,1H3,(H,10,11,12,13);2-5H,1H3,(H,9,10,11,12)
InChIKeyODUPIMUNSSDDHV-UHFFFAOYSA-N
XLogP2.19
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole?
The IUPAC name of 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole (CID 159964894) is 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole?
The canonical SMILES for 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole is COCc1ccc(-c2nn[nH]n2)cc1.Cc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole?
The InChIKey is ODUPIMUNSSDDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O.C8H8N4/c1-14-6-7-2-4-8(5-3-7)9-10-12-13-11-9;1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,6H2,1H3,(H,10,11,12,13);2-5H,1H3,(H,9,10,11,12).
What are the key properties of 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole?
5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole has a molecular weight of 350.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)phenyl]-2H-tetrazole;5-(4-methylphenyl)-2H-tetrazole is sourced from PubChem (CID 159964894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).