N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

C15H17N7O — CID 72902274

IUPACN-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(Cn2cncn2)nn1-c1ccccc1
InChIInChI=1S/C15H17N7O/c1-12(23)17-8-7-15-19-14(9-21-11-16-10-18-21)20-22(15)13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,17,23)
InChIKeyFFGJGEQPFYCONC-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.59
Rot. Bonds6

About N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide

N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (PubChem CID 72902274) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
PubChem CID72902274
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1nc(Cn2cncn2)nn1-c1ccccc1
InChIInChI=1S/C15H17N7O/c1-12(23)17-8-7-15-19-14(9-21-11-16-10-18-21)20-22(15)13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,17,23)
InChIKeyFFGJGEQPFYCONC-UHFFFAOYSA-N
XLogP0.59
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide (CID 72902274) is N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is CC(=O)NCCc1nc(Cn2cncn2)nn1-c1ccccc1.
What is the InChIKey of N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The InChIKey is FFGJGEQPFYCONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-12(23)17-8-7-15-19-14(9-21-11-16-10-18-21)20-22(15)13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,17,23).
What are the key properties of N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide has a molecular weight of 311.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 72902274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).