5-(5-methylhexyl)-2H-tetrazole

C8H16N4 — CID 21044006

IUPAC5-(5-methylhexyl)-2H-tetrazole
SMILESCC(C)CCCCc1nn[nH]n1
InChIInChI=1S/C8H16N4/c1-7(2)5-3-4-6-8-9-11-12-10-8/h7H,3-6H2,1-2H3,(H,9,10,11,12)
InChIKeyKJJQJTBBFBQSBG-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.57
Rot. Bonds5

About 5-(5-methylhexyl)-2H-tetrazole

5-(5-methylhexyl)-2H-tetrazole (PubChem CID 21044006) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(5-methylhexyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(5-methylhexyl)-2H-tetrazole
PubChem CID21044006
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-(5-methylhexyl)-2H-tetrazole
SMILESCC(C)CCCCc1nn[nH]n1
InChIInChI=1S/C8H16N4/c1-7(2)5-3-4-6-8-9-11-12-10-8/h7H,3-6H2,1-2H3,(H,9,10,11,12)
InChIKeyKJJQJTBBFBQSBG-UHFFFAOYSA-N
XLogP1.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
5-(3-fluoropropyl)-2H-tetrazole
CID 81109495
5-(4-butoxybutyl)-2H-tetrazole
CID 90689565
5-[(Z)-heptadec-8-enyl]-2H-tetrazole
CID 11088104
5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole
CID 23614553
5-(2-iodoethyl)-2H-tetrazole
CID 118328240
5-[3-(4-propan-2-ylpyrazol-1-yl)propyl]-2H-tetrazole
CID 70846550
N,N-diethyl-3-methylbutan-1-amine;ethane;N-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]acetamide
CID 142506573
5-[2-[(4-ethenylphenyl)methyl]-8-(2H-tetrazol-5-yl)octyl]-2H-tetrazole
CID 172619704
5-[4-(3,5-ditert-butylphenoxy)butyl]-2H-tetrazole
CID 15067994
5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole
CID 61494091
5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
CID 13101701

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylhexyl)-2H-tetrazole?
The IUPAC name of 5-(5-methylhexyl)-2H-tetrazole (CID 21044006) is 5-(5-methylhexyl)-2H-tetrazole.
What is the SMILES notation for 5-(5-methylhexyl)-2H-tetrazole?
The canonical SMILES for 5-(5-methylhexyl)-2H-tetrazole is CC(C)CCCCc1nn[nH]n1.
What is the InChIKey of 5-(5-methylhexyl)-2H-tetrazole?
The InChIKey is KJJQJTBBFBQSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(2)5-3-4-6-8-9-11-12-10-8/h7H,3-6H2,1-2H3,(H,9,10,11,12).
What are the key properties of 5-(5-methylhexyl)-2H-tetrazole?
5-(5-methylhexyl)-2H-tetrazole has a molecular weight of 168.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylhexyl)-2H-tetrazole is sourced from PubChem (CID 21044006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).