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

C19H19N7 — CID 50973255

IUPAC5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole
SMILESc1ccc(CCc2nc(CCn3nnc(-c4ccccc4)n3)n[nH]2)cc1
InChIInChI=1S/C19H19N7/c1-3-7-15(8-4-1)11-12-17-20-18(22-21-17)13-14-26-24-19(23-25-26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21,22)
InChIKeyBOXDHFCDGWVVAK-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.49
Rot. Bonds7

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

5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole (PubChem CID 50973255) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole.

Molecular Properties

Compound Name5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole
PubChem CID50973255
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole
SMILESc1ccc(CCc2nc(CCn3nnc(-c4ccccc4)n3)n[nH]2)cc1
InChIInChI=1S/C19H19N7/c1-3-7-15(8-4-1)11-12-17-20-18(22-21-17)13-14-26-24-19(23-25-26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21,22)
InChIKeyBOXDHFCDGWVVAK-UHFFFAOYSA-N
XLogP2.49
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole?
The IUPAC name of 5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole (CID 50973255) is 5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole.
What is the SMILES notation for 5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole?
The canonical SMILES for 5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole is c1ccc(CCc2nc(CCn3nnc(-c4ccccc4)n3)n[nH]2)cc1.
What is the InChIKey of 5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole?
The InChIKey is BOXDHFCDGWVVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-3-7-15(8-4-1)11-12-17-20-18(22-21-17)13-14-26-24-19(23-25-26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,21,22).
What are the key properties of 5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole?
5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole has a molecular weight of 345.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]ethyl]tetrazole is sourced from PubChem (CID 50973255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).