5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole

C12H15ClN4 — CID 56840729

IUPAC5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole
SMILESCCCCC(c1ccc(Cl)cc1)c1nn[nH]n1
InChIInChI=1S/C12H15ClN4/c1-2-3-4-11(12-14-16-17-15-12)9-5-7-10(13)8-6-9/h5-8,11H,2-4H2,1H3,(H,14,15,16,17)
InChIKeyPAYBBESOHPRBNI-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.18
Rot. Bonds5

About 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole

5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole (PubChem CID 56840729) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole
PubChem CID56840729
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole
SMILESCCCCC(c1ccc(Cl)cc1)c1nn[nH]n1
InChIInChI=1S/C12H15ClN4/c1-2-3-4-11(12-14-16-17-15-12)9-5-7-10(13)8-6-9/h5-8,11H,2-4H2,1H3,(H,14,15,16,17)
InChIKeyPAYBBESOHPRBNI-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole?
The IUPAC name of 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole (CID 56840729) is 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole is CCCCC(c1ccc(Cl)cc1)c1nn[nH]n1.
What is the InChIKey of 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole?
The InChIKey is PAYBBESOHPRBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-2-3-4-11(12-14-16-17-15-12)9-5-7-10(13)8-6-9/h5-8,11H,2-4H2,1H3,(H,14,15,16,17).
What are the key properties of 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole?
5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole has a molecular weight of 250.73 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)pentyl]-2H-tetrazole is sourced from PubChem (CID 56840729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).