2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile

C10H12N6O — CID 90232432

IUPAC2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile
SMILESCc1cc(-n2cnc(CC(C)(N)C#N)n2)no1
InChIInChI=1S/C10H12N6O/c1-7-3-9(15-17-7)16-6-13-8(14-16)4-10(2,12)5-11/h3,6H,4,12H2,1-2H3
InChIKeyZNHRQMXKSHDVSZ-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.35
Rot. Bonds3

About 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile

2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile (PubChem CID 90232432) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile
PubChem CID90232432
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile
SMILESCc1cc(-n2cnc(CC(C)(N)C#N)n2)no1
InChIInChI=1S/C10H12N6O/c1-7-3-9(15-17-7)16-6-13-8(14-16)4-10(2,12)5-11/h3,6H,4,12H2,1-2H3
InChIKeyZNHRQMXKSHDVSZ-UHFFFAOYSA-N
XLogP0.35
TPSA106.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile?
The IUPAC name of 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile (CID 90232432) is 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile.
What is the SMILES notation for 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile?
The canonical SMILES for 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile is Cc1cc(-n2cnc(CC(C)(N)C#N)n2)no1.
What is the InChIKey of 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile?
The InChIKey is ZNHRQMXKSHDVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-7-3-9(15-17-7)16-6-13-8(14-16)4-10(2,12)5-11/h3,6H,4,12H2,1-2H3.
What are the key properties of 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile?
2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile has a molecular weight of 232.25 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-[1-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]propanenitrile is sourced from PubChem (CID 90232432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).