(5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole

C9H12N4 — CID 163919256

IUPAC(5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole
SMILESC[C@@H]1N=NN(Cc2ccccc2)N1
InChIInChI=1S/C9H12N4/c1-8-10-12-13(11-8)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m1/s1
InChIKeyQYZKQJWRNJXAKN-MRVPVSSYSA-N
MW176.22 g/mol
LogP1.72
Rot. Bonds2

About (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole

(5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole (PubChem CID 163919256) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole.

Molecular Properties

Compound Name(5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole
PubChem CID163919256
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name(5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole
SMILESC[C@@H]1N=NN(Cc2ccccc2)N1
InChIInChI=1S/C9H12N4/c1-8-10-12-13(11-8)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m1/s1
InChIKeyQYZKQJWRNJXAKN-MRVPVSSYSA-N
XLogP1.72
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R,3R)-2-benzyl-3-methylaziridine
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(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
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(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
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(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
9-benzyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 102364241
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1,3-dibenzyl-2-methyl-4,5-diphenyl-2H-imidazole
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Frequently Asked Questions

What is the IUPAC name of (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole?
The IUPAC name of (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole (CID 163919256) is (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole.
What is the SMILES notation for (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole?
The canonical SMILES for (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole is C[C@@H]1N=NN(Cc2ccccc2)N1.
What is the InChIKey of (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole?
The InChIKey is QYZKQJWRNJXAKN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N4/c1-8-10-12-13(11-8)7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m1/s1.
What are the key properties of (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole?
(5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole has a molecular weight of 176.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-benzyl-5-methyl-1,5-dihydrotetrazole is sourced from PubChem (CID 163919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).