5-[(2-methylphenyl)methyl]-2H-tetrazole

C9H10N4 — CID 20794202

IUPAC5-[(2-methylphenyl)methyl]-2H-tetrazole
SMILESCc1ccccc1Cc1nn[nH]n1
InChIInChI=1S/C9H10N4/c1-7-4-2-3-5-8(7)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKeyROUDATCUSWUKFQ-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.10
Rot. Bonds2

About 5-[(2-methylphenyl)methyl]-2H-tetrazole

5-[(2-methylphenyl)methyl]-2H-tetrazole (PubChem CID 20794202) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2-methylphenyl)methyl]-2H-tetrazole
PubChem CID20794202
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-[(2-methylphenyl)methyl]-2H-tetrazole
SMILESCc1ccccc1Cc1nn[nH]n1
InChIInChI=1S/C9H10N4/c1-7-4-2-3-5-8(7)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13)
InChIKeyROUDATCUSWUKFQ-UHFFFAOYSA-N
XLogP1.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methyl]-2H-tetrazole?
The IUPAC name of 5-[(2-methylphenyl)methyl]-2H-tetrazole (CID 20794202) is 5-[(2-methylphenyl)methyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2-methylphenyl)methyl]-2H-tetrazole?
The canonical SMILES for 5-[(2-methylphenyl)methyl]-2H-tetrazole is Cc1ccccc1Cc1nn[nH]n1.
What is the InChIKey of 5-[(2-methylphenyl)methyl]-2H-tetrazole?
The InChIKey is ROUDATCUSWUKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-4-2-3-5-8(7)6-9-10-12-13-11-9/h2-5H,6H2,1H3,(H,10,11,12,13).
What are the key properties of 5-[(2-methylphenyl)methyl]-2H-tetrazole?
5-[(2-methylphenyl)methyl]-2H-tetrazole has a molecular weight of 174.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methyl]-2H-tetrazole is sourced from PubChem (CID 20794202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).