N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

C10H12N6O — CID 43833066

IUPACN-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCNC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C10H12N6O/c1-2-12-9(17)5-8-14-10(16-15-8)7-6-11-3-4-13-7/h3-4,6H,2,5H2,1H3,(H,12,17)(H,14,15,16)
InChIKeyMYRXRWUHANUUAO-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.06
Rot. Bonds4

About N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 43833066) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID43833066
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC NameN-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCCNC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C10H12N6O/c1-2-12-9(17)5-8-14-10(16-15-8)7-6-11-3-4-13-7/h3-4,6H,2,5H2,1H3,(H,12,17)(H,14,15,16)
InChIKeyMYRXRWUHANUUAO-UHFFFAOYSA-N
XLogP-0.06
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 43833066) is N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is CCNC(=O)Cc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is MYRXRWUHANUUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-2-12-9(17)5-8-14-10(16-15-8)7-6-11-3-4-13-7/h3-4,6H,2,5H2,1H3,(H,12,17)(H,14,15,16).
What are the key properties of N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 232.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 43833066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).