1-methyl-5-(3-methylphenyl)tetrazole

C9H10N4 — CID 23384026

IUPAC1-methyl-5-(3-methylphenyl)tetrazole
SMILESCc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C9H10N4/c1-7-4-3-5-8(6-7)9-10-11-12-13(9)2/h3-6H,1-2H3
InChIKeyPKTKJOZCYXUAAF-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.19
Rot. Bonds1

About 1-methyl-5-(3-methylphenyl)tetrazole

1-methyl-5-(3-methylphenyl)tetrazole (PubChem CID 23384026) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 1-methyl-5-(3-methylphenyl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(3-methylphenyl)tetrazole
PubChem CID23384026
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name1-methyl-5-(3-methylphenyl)tetrazole
SMILESCc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C9H10N4/c1-7-4-3-5-8(6-7)9-10-11-12-13(9)2/h3-6H,1-2H3
InChIKeyPKTKJOZCYXUAAF-UHFFFAOYSA-N
XLogP1.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methylphenyl)tetrazole?
The IUPAC name of 1-methyl-5-(3-methylphenyl)tetrazole (CID 23384026) is 1-methyl-5-(3-methylphenyl)tetrazole.
What is the SMILES notation for 1-methyl-5-(3-methylphenyl)tetrazole?
The canonical SMILES for 1-methyl-5-(3-methylphenyl)tetrazole is Cc1cccc(-c2nnnn2C)c1.
What is the InChIKey of 1-methyl-5-(3-methylphenyl)tetrazole?
The InChIKey is PKTKJOZCYXUAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-4-3-5-8(6-7)9-10-11-12-13(9)2/h3-6H,1-2H3.
What are the key properties of 1-methyl-5-(3-methylphenyl)tetrazole?
1-methyl-5-(3-methylphenyl)tetrazole has a molecular weight of 174.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methylphenyl)tetrazole is sourced from PubChem (CID 23384026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).