5-benzyl-2-methyltetrazole

C9H10N4 — CID 10058109

IUPAC5-benzyl-2-methyltetrazole
SMILESCn1nnc(Cc2ccccc2)n1
InChIInChI=1S/C9H10N4/c1-13-11-9(10-12-13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJHMOUDZKQRKWJR-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.80
Rot. Bonds2

About 5-benzyl-2-methyltetrazole

5-benzyl-2-methyltetrazole (PubChem CID 10058109) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-benzyl-2-methyltetrazole.

Molecular Properties

Compound Name5-benzyl-2-methyltetrazole
PubChem CID10058109
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-benzyl-2-methyltetrazole
SMILESCn1nnc(Cc2ccccc2)n1
InChIInChI=1S/C9H10N4/c1-13-11-9(10-12-13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJHMOUDZKQRKWJR-UHFFFAOYSA-N
XLogP0.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyltetrazole?
The IUPAC name of 5-benzyl-2-methyltetrazole (CID 10058109) is 5-benzyl-2-methyltetrazole.
What is the SMILES notation for 5-benzyl-2-methyltetrazole?
The canonical SMILES for 5-benzyl-2-methyltetrazole is Cn1nnc(Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-2-methyltetrazole?
The InChIKey is JHMOUDZKQRKWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-13-11-9(10-12-13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 5-benzyl-2-methyltetrazole?
5-benzyl-2-methyltetrazole has a molecular weight of 174.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyltetrazole is sourced from PubChem (CID 10058109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).