3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine

C16H17N5 — CID 2732065

IUPAC3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2nnnn2-c2cccnc2)cc1
InChIInChI=1S/C16H17N5/c1-16(2,3)13-8-6-12(7-9-13)15-18-19-20-21(15)14-5-4-10-17-11-14/h4-11H,1-3H3
InChIKeyFPNONVBSZXMCAB-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.02
Rot. Bonds2

About 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine

3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine (PubChem CID 2732065) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine.

Molecular Properties

Compound Name3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine
PubChem CID2732065
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine
SMILESCC(C)(C)c1ccc(-c2nnnn2-c2cccnc2)cc1
InChIInChI=1S/C16H17N5/c1-16(2,3)13-8-6-12(7-9-13)15-18-19-20-21(15)14-5-4-10-17-11-14/h4-11H,1-3H3
InChIKeyFPNONVBSZXMCAB-UHFFFAOYSA-N
XLogP3.02
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine?
The IUPAC name of 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine (CID 2732065) is 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine.
What is the SMILES notation for 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine?
The canonical SMILES for 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine is CC(C)(C)c1ccc(-c2nnnn2-c2cccnc2)cc1.
What is the InChIKey of 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine?
The InChIKey is FPNONVBSZXMCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-16(2,3)13-8-6-12(7-9-13)15-18-19-20-21(15)14-5-4-10-17-11-14/h4-11H,1-3H3.
What are the key properties of 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine?
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine has a molecular weight of 279.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-tert-butylphenyl)tetrazol-1-yl]pyridine is sourced from PubChem (CID 2732065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).