3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine

C17H15N7 — CID 118978643

IUPAC3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H15N7/c1-2-12-9-15(24-8-7-18-11-24)10-19-16(12)13-3-5-14(6-4-13)17-20-22-23-21-17/h3-11H,2H2,1H3,(H,20,21,22,23)
InChIKeyFNGUCVMCMUIVKO-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.68
Rot. Bonds4

About 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine

3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 118978643) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID118978643
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H15N7/c1-2-12-9-15(24-8-7-18-11-24)10-19-16(12)13-3-5-14(6-4-13)17-20-22-23-21-17/h3-11H,2H2,1H3,(H,20,21,22,23)
InChIKeyFNGUCVMCMUIVKO-UHFFFAOYSA-N
XLogP2.68
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine (CID 118978643) is 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine is CCc1cc(-n2ccnc2)cnc1-c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is FNGUCVMCMUIVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-2-12-9-15(24-8-7-18-11-24)10-19-16(12)13-3-5-14(6-4-13)17-20-22-23-21-17/h3-11H,2H2,1H3,(H,20,21,22,23).
What are the key properties of 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine?
3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 317.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-imidazol-1-yl-2-[4-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 118978643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).