2-benzyl-5-methyltetrazole

C9H10N4 — CID 59496916

IUPAC2-benzyl-5-methyltetrazole
SMILESCc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C9H10N4/c1-8-10-12-13(11-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyANASFDJHMYPKHS-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.03
Rot. Bonds2

About 2-benzyl-5-methyltetrazole

2-benzyl-5-methyltetrazole (PubChem CID 59496916) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-benzyl-5-methyltetrazole.

Molecular Properties

Compound Name2-benzyl-5-methyltetrazole
PubChem CID59496916
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-benzyl-5-methyltetrazole
SMILESCc1nnn(Cc2ccccc2)n1
InChIInChI=1S/C9H10N4/c1-8-10-12-13(11-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyANASFDJHMYPKHS-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Phenylmethyl)-2H-tetrazol-5-amine
CID 562401
5-Benzyl-1H-tetrazole
CID 223451
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
2-(2-Methylpropyl)-5-[(4-phenylphenyl)methyl]tetrazole
CID 44448617
5-(4-fluorophenyl)-2-(2-methylbenzyl)-2H-tetrazole
CID 738168
3-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-propionitrile
CID 591006
2-(5-phenyl-2H-tetrazol-2-yl)ethanol
CID 583007
3-Methyl-6-phenyl-1,2,4,5-tetrazine
CID 750329
2-Methyl-5-phenyl-2H-tetrazole
CID 329758
3-[5-(4-Propan-2-ylphenyl)tetrazol-2-yl]propanenitrile
CID 3184587
3-[5-(4-Ethylphenyl)tetrazol-2-yl]propanenitrile
CID 3192364

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyltetrazole?
The IUPAC name of 2-benzyl-5-methyltetrazole (CID 59496916) is 2-benzyl-5-methyltetrazole.
What is the SMILES notation for 2-benzyl-5-methyltetrazole?
The canonical SMILES for 2-benzyl-5-methyltetrazole is Cc1nnn(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-5-methyltetrazole?
The InChIKey is ANASFDJHMYPKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-8-10-12-13(11-8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 2-benzyl-5-methyltetrazole?
2-benzyl-5-methyltetrazole has a molecular weight of 174.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyltetrazole is sourced from PubChem (CID 59496916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).