3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine

C15H23N5 — CID 121005075

IUPAC3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine
SMILESCCC(CC)Cn1nnc(-c2cnccc2C(C)C)n1
InChIInChI=1S/C15H23N5/c1-5-12(6-2)10-20-18-15(17-19-20)14-9-16-8-7-13(14)11(3)4/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyJQPSTVVJWBWQFU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.29
Rot. Bonds6

About 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine

3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine (PubChem CID 121005075) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine
PubChem CID121005075
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine
SMILESCCC(CC)Cn1nnc(-c2cnccc2C(C)C)n1
InChIInChI=1S/C15H23N5/c1-5-12(6-2)10-20-18-15(17-19-20)14-9-16-8-7-13(14)11(3)4/h7-9,11-12H,5-6,10H2,1-4H3
InChIKeyJQPSTVVJWBWQFU-UHFFFAOYSA-N
XLogP3.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine?
The IUPAC name of 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine (CID 121005075) is 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine is CCC(CC)Cn1nnc(-c2cnccc2C(C)C)n1.
What is the InChIKey of 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine?
The InChIKey is JQPSTVVJWBWQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-12(6-2)10-20-18-15(17-19-20)14-9-16-8-7-13(14)11(3)4/h7-9,11-12H,5-6,10H2,1-4H3.
What are the key properties of 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine?
3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine has a molecular weight of 273.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 121005075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).