5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole

C8H18N4 — CID 91455147

IUPAC5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole
SMILESCC(C)C(C)CC1N=NNN1C
InChIInChI=1S/C8H18N4/c1-6(2)7(3)5-8-9-10-11-12(8)4/h6-8H,5H2,1-4H3,(H,9,11)
InChIKeyWGFJAMSUPUITAF-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.81
Rot. Bonds3

About 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole

5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole (PubChem CID 91455147) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole.

Molecular Properties

Compound Name5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole
PubChem CID91455147
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole
SMILESCC(C)C(C)CC1N=NNN1C
InChIInChI=1S/C8H18N4/c1-6(2)7(3)5-8-9-10-11-12(8)4/h6-8H,5H2,1-4H3,(H,9,11)
InChIKeyWGFJAMSUPUITAF-UHFFFAOYSA-N
XLogP1.81
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole?
The IUPAC name of 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole (CID 91455147) is 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole.
What is the SMILES notation for 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole?
The canonical SMILES for 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole is CC(C)C(C)CC1N=NNN1C.
What is the InChIKey of 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole?
The InChIKey is WGFJAMSUPUITAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-6(2)7(3)5-8-9-10-11-12(8)4/h6-8H,5H2,1-4H3,(H,9,11).
What are the key properties of 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole?
5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole has a molecular weight of 170.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutyl)-1-methyl-2,5-dihydrotetrazole is sourced from PubChem (CID 91455147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).