3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide

C14H16N8O — CID 91791500

IUPAC3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
SMILESO=C(NCCn1cncn1)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C14H16N8O/c23-14(16-6-7-21-10-15-9-18-21)13(22-11-17-19-20-22)8-12-4-2-1-3-5-12/h1-5,9-11,13H,6-8H2,(H,16,23)
InChIKeyYZUSHBYOCAZMDU-UHFFFAOYSA-N
MW312.34 g/mol
LogP-0.14
Rot. Bonds7

About 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide

3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide (PubChem CID 91791500) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
PubChem CID91791500
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
SMILESO=C(NCCn1cncn1)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C14H16N8O/c23-14(16-6-7-21-10-15-9-18-21)13(22-11-17-19-20-22)8-12-4-2-1-3-5-12/h1-5,9-11,13H,6-8H2,(H,16,23)
InChIKeyYZUSHBYOCAZMDU-UHFFFAOYSA-N
XLogP-0.14
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The IUPAC name of 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide (CID 91791500) is 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The canonical SMILES for 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide is O=C(NCCn1cncn1)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The InChIKey is YZUSHBYOCAZMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c23-14(16-6-7-21-10-15-9-18-21)13(22-11-17-19-20-22)8-12-4-2-1-3-5-12/h1-5,9-11,13H,6-8H2,(H,16,23).
What are the key properties of 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide?
3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide has a molecular weight of 312.34 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 91791500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).