5-methyl-5-pentyltetrazole

C7H14N4 — CID 69382844

IUPAC5-methyl-5-pentyltetrazole
SMILESCCCCCC1(C)N=NN=N1
InChIInChI=1S/C7H14N4/c1-3-4-5-6-7(2)8-10-11-9-7/h3-6H2,1-2H3
InChIKeyYEWMUWDIXWJLSS-UHFFFAOYSA-N
MW154.22 g/mol
LogP3.12
Rot. Bonds4

About 5-methyl-5-pentyltetrazole

5-methyl-5-pentyltetrazole (PubChem CID 69382844) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-methyl-5-pentyltetrazole.

Molecular Properties

Compound Name5-methyl-5-pentyltetrazole
PubChem CID69382844
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-methyl-5-pentyltetrazole
SMILESCCCCCC1(C)N=NN=N1
InChIInChI=1S/C7H14N4/c1-3-4-5-6-7(2)8-10-11-9-7/h3-6H2,1-2H3
InChIKeyYEWMUWDIXWJLSS-UHFFFAOYSA-N
XLogP3.12
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-dihexyltetrazole
CID 69386804
4-(5-methyltetrazol-5-yl)-N,N-dipropylbutanamide
CID 70576621
5-pentyltetrazole-5-carbonitrile
CID 69382845
5-(1,1,2,2,2-pentachloroethyl)-5-pentyltetrazole
CID 69382501
5-butyl-5-ethyltetrazole
CID 68800278
2-heptyl-2,3,3-trimethyloxirane
CID 19373807
1-methyl-1-pentylcyclopropane
CID 524644
azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride
CID 160540589
5-butyl-5-propan-2-yltetrazole
CID 69385429
hexane;methylsulfanylmethane
CID 161474362
2-methyl-2-pentyloxirane
CID 559073
1-hexyl-1,2,2-trimethylcyclopropane
CID 123520586

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-pentyltetrazole?
The IUPAC name of 5-methyl-5-pentyltetrazole (CID 69382844) is 5-methyl-5-pentyltetrazole.
What is the SMILES notation for 5-methyl-5-pentyltetrazole?
The canonical SMILES for 5-methyl-5-pentyltetrazole is CCCCCC1(C)N=NN=N1.
What is the InChIKey of 5-methyl-5-pentyltetrazole?
The InChIKey is YEWMUWDIXWJLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-4-5-6-7(2)8-10-11-9-7/h3-6H2,1-2H3.
What are the key properties of 5-methyl-5-pentyltetrazole?
5-methyl-5-pentyltetrazole has a molecular weight of 154.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-pentyltetrazole is sourced from PubChem (CID 69382844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).