N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

C9H12N6O — CID 115649558

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCCc1ncc[nH]1
InChIInChI=1S/C9H12N6O/c16-9(5-15-7-10-6-14-15)13-2-1-8-11-3-4-12-8/h3-4,6-7H,1-2,5H2,(H,11,12)(H,13,16)
InChIKeyJCBKKHRLZWUCFI-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.64
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 115649558) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID115649558
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCCc1ncc[nH]1
InChIInChI=1S/C9H12N6O/c16-9(5-15-7-10-6-14-15)13-2-1-8-11-3-4-12-8/h3-4,6-7H,1-2,5H2,(H,11,12)(H,13,16)
InChIKeyJCBKKHRLZWUCFI-UHFFFAOYSA-N
XLogP-0.64
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 115649558) is N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCCc1ncc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is JCBKKHRLZWUCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c16-9(5-15-7-10-6-14-15)13-2-1-8-11-3-4-12-8/h3-4,6-7H,1-2,5H2,(H,11,12)(H,13,16).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 220.24 g/mol, XLogP of -0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 115649558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).