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

C9H10N6O — CID 43833065

IUPACN-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCNC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C9H10N6O/c1-10-8(16)4-7-13-9(15-14-7)6-5-11-2-3-12-6/h2-3,5H,4H2,1H3,(H,10,16)(H,13,14,15)
InChIKeyFZRHRIOVAUBHMP-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.45
Rot. Bonds3

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

N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 43833065) has the molecular formula C9H10N6O and a molecular weight of 218.22 g/mol. Its IUPAC name is N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID43833065
Molecular FormulaC9H10N6O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC NameN-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCNC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C9H10N6O/c1-10-8(16)4-7-13-9(15-14-7)6-5-11-2-3-12-6/h2-3,5H,4H2,1H3,(H,10,16)(H,13,14,15)
InChIKeyFZRHRIOVAUBHMP-UHFFFAOYSA-N
XLogP-0.45
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 43833065) is N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is CNC(=O)Cc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is FZRHRIOVAUBHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O/c1-10-8(16)4-7-13-9(15-14-7)6-5-11-2-3-12-6/h2-3,5H,4H2,1H3,(H,10,16)(H,13,14,15).
What are the key properties of N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 218.22 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 43833065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).