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

C12H16N6O — CID 43833009

IUPACN-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C12H16N6O/c1-12(2,3)16-10(19)6-9-15-11(18-17-9)8-7-13-4-5-14-8/h4-5,7H,6H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyDSIYJLABTFQHQG-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.72
Rot. Bonds3

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

N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 43833009) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID43833009
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCC(C)(C)NC(=O)Cc1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C12H16N6O/c1-12(2,3)16-10(19)6-9-15-11(18-17-9)8-7-13-4-5-14-8/h4-5,7H,6H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyDSIYJLABTFQHQG-UHFFFAOYSA-N
XLogP0.72
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 43833009) is N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is CC(C)(C)NC(=O)Cc1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is DSIYJLABTFQHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-12(2,3)16-10(19)6-9-15-11(18-17-9)8-7-13-4-5-14-8/h4-5,7H,6H2,1-3H3,(H,16,19)(H,15,17,18).
What are the key properties of N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 43833009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).