5-pentoxy-1-(2-propylphenyl)tetrazole

C15H22N4O — CID 90685701

IUPAC5-pentoxy-1-(2-propylphenyl)tetrazole
SMILESCCCCCOc1nnnn1-c1ccccc1CCC
InChIInChI=1S/C15H22N4O/c1-3-5-8-12-20-15-16-17-18-19(15)14-11-7-6-10-13(14)9-4-2/h6-7,10-11H,3-5,8-9,12H2,1-2H3
InChIKeyDFEYEPJQOZIVCC-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.18
Rot. Bonds8

About 5-pentoxy-1-(2-propylphenyl)tetrazole

5-pentoxy-1-(2-propylphenyl)tetrazole (PubChem CID 90685701) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-pentoxy-1-(2-propylphenyl)tetrazole.

Molecular Properties

Compound Name5-pentoxy-1-(2-propylphenyl)tetrazole
PubChem CID90685701
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-pentoxy-1-(2-propylphenyl)tetrazole
SMILESCCCCCOc1nnnn1-c1ccccc1CCC
InChIInChI=1S/C15H22N4O/c1-3-5-8-12-20-15-16-17-18-19(15)14-11-7-6-10-13(14)9-4-2/h6-7,10-11H,3-5,8-9,12H2,1-2H3
InChIKeyDFEYEPJQOZIVCC-UHFFFAOYSA-N
XLogP3.18
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-butoxy-1-phenyltetrazole
CID 3098284
5-(2-methylpropyl)-1-(2-propylphenyl)tetrazole
CID 167209854
N-methyl-1-[1-(2-propylphenyl)tetrazol-5-yl]methanamine
CID 55108923
azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole
CID 174747019
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
CID 61353615
1-[5-ethyl-1-(2-propylphenyl)triazol-4-yl]propan-1-one
CID 107431385
1-butyl-2-nonoxybenzene
CID 118255282
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
[2-(5-methyltetrazol-1-yl)phenyl]methanamine
CID 82504565
5-butyl-1-phenyltetrazole
CID 69031432
2-propylphenolate;zirconium(2+);chloride
CID 22137017

Frequently Asked Questions

What is the IUPAC name of 5-pentoxy-1-(2-propylphenyl)tetrazole?
The IUPAC name of 5-pentoxy-1-(2-propylphenyl)tetrazole (CID 90685701) is 5-pentoxy-1-(2-propylphenyl)tetrazole.
What is the SMILES notation for 5-pentoxy-1-(2-propylphenyl)tetrazole?
The canonical SMILES for 5-pentoxy-1-(2-propylphenyl)tetrazole is CCCCCOc1nnnn1-c1ccccc1CCC.
What is the InChIKey of 5-pentoxy-1-(2-propylphenyl)tetrazole?
The InChIKey is DFEYEPJQOZIVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-5-8-12-20-15-16-17-18-19(15)14-11-7-6-10-13(14)9-4-2/h6-7,10-11H,3-5,8-9,12H2,1-2H3.
What are the key properties of 5-pentoxy-1-(2-propylphenyl)tetrazole?
5-pentoxy-1-(2-propylphenyl)tetrazole has a molecular weight of 274.37 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxy-1-(2-propylphenyl)tetrazole is sourced from PubChem (CID 90685701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).