2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide

C18H16N8O — CID 75440170

IUPAC2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESCC(C(=O)Nc1nncn1-c1ccccc1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H16N8O/c1-13(26-23-16(21-24-26)14-8-4-2-5-9-14)17(27)20-18-22-19-12-25(18)15-10-6-3-7-11-15/h2-13H,1H3,(H,20,22,27)
InChIKeyYECKTLYNEQXQHG-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.12
Rot. Bonds5

About 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide

2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 75440170) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
PubChem CID75440170
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESCC(C(=O)Nc1nncn1-c1ccccc1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C18H16N8O/c1-13(26-23-16(21-24-26)14-8-4-2-5-9-14)17(27)20-18-22-19-12-25(18)15-10-6-3-7-11-15/h2-13H,1H3,(H,20,22,27)
InChIKeyYECKTLYNEQXQHG-UHFFFAOYSA-N
XLogP2.12
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide (CID 75440170) is 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide is CC(C(=O)Nc1nncn1-c1ccccc1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is YECKTLYNEQXQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O/c1-13(26-23-16(21-24-26)14-8-4-2-5-9-14)17(27)20-18-22-19-12-25(18)15-10-6-3-7-11-15/h2-13H,1H3,(H,20,22,27).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 360.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 75440170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).