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

C17H19N5 — CID 121005664

IUPAC3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1-c1nnn(CCc2ccccc2)n1
InChIInChI=1S/C17H19N5/c1-13(2)15-8-10-18-12-16(15)17-19-21-22(20-17)11-9-14-6-4-3-5-7-14/h3-8,10,12-13H,9,11H2,1-2H3
InChIKeyYQCWBDNLOUMLTM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.10
Rot. Bonds5

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

3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine (PubChem CID 121005664) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine
PubChem CID121005664
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1-c1nnn(CCc2ccccc2)n1
InChIInChI=1S/C17H19N5/c1-13(2)15-8-10-18-12-16(15)17-19-21-22(20-17)11-9-14-6-4-3-5-7-14/h3-8,10,12-13H,9,11H2,1-2H3
InChIKeyYQCWBDNLOUMLTM-UHFFFAOYSA-N
XLogP3.10
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-ethylbutyl)tetrazol-5-yl]-4-propan-2-ylpyridine
CID 121005075
5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
CID 8685521
5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole
CID 57273245
5-(2-chlorophenyl)-2-(3-phenylpropyl)tetrazole
CID 56974037
4-propan-2-yl-3-pyridin-4-ylpyridine
CID 138726377
2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide
CID 119764919
4-[2-(3-phenoxypropyl)tetrazol-5-yl]pyridine
CID 655055
3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
CID 119764922
N-[2-(5-phenyltetrazol-2-yl)ethyl]propan-2-amine
CID 55070699
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4810024

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine?
The IUPAC name of 3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine (CID 121005664) is 3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine is CC(C)c1ccncc1-c1nnn(CCc2ccccc2)n1.
What is the InChIKey of 3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine?
The InChIKey is YQCWBDNLOUMLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-13(2)15-8-10-18-12-16(15)17-19-21-22(20-17)11-9-14-6-4-3-5-7-14/h3-8,10,12-13H,9,11H2,1-2H3.
What are the key properties of 3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine?
3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine has a molecular weight of 293.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenylethyl)tetrazol-5-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 121005664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).