5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole

C16H17N9 — CID 50960619

IUPAC5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
SMILESCCn1ncnc1-c1c(-c2ccccc2)ncn1CCc1nn[nH]n1
InChIInChI=1S/C16H17N9/c1-2-25-16(17-10-19-25)15-14(12-6-4-3-5-7-12)18-11-24(15)9-8-13-20-22-23-21-13/h3-7,10-11H,2,8-9H2,1H3,(H,20,21,22,23)
InChIKeyPEBJXSNWQRRBBT-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.58
Rot. Bonds6

About 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole

5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole (PubChem CID 50960619) has the molecular formula C16H17N9 and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
PubChem CID50960619
Molecular FormulaC16H17N9
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
SMILESCCn1ncnc1-c1c(-c2ccccc2)ncn1CCc1nn[nH]n1
InChIInChI=1S/C16H17N9/c1-2-25-16(17-10-19-25)15-14(12-6-4-3-5-7-12)18-11-24(15)9-8-13-20-22-23-21-13/h3-7,10-11H,2,8-9H2,1H3,(H,20,21,22,23)
InChIKeyPEBJXSNWQRRBBT-UHFFFAOYSA-N
XLogP1.58
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole (CID 50960619) is 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole is CCn1ncnc1-c1c(-c2ccccc2)ncn1CCc1nn[nH]n1.
What is the InChIKey of 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
The InChIKey is PEBJXSNWQRRBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9/c1-2-25-16(17-10-19-25)15-14(12-6-4-3-5-7-12)18-11-24(15)9-8-13-20-22-23-21-13/h3-7,10-11H,2,8-9H2,1H3,(H,20,21,22,23).
What are the key properties of 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole?
5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole has a molecular weight of 335.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(2-ethyl-1,2,4-triazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole is sourced from PubChem (CID 50960619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).