2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine

C11H16N6 — CID 66450349

IUPAC2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncc(-n2cncn2)n1
InChIInChI=1S/C11H16N6/c1-11(2,3)14-5-9-4-12-6-10(16-9)17-8-13-7-15-17/h4,6-8,14H,5H2,1-3H3
InChIKeyDOBBSLREXVWMTJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.95
Rot. Bonds3

About 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine

2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66450349) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66450349
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncc(-n2cncn2)n1
InChIInChI=1S/C11H16N6/c1-11(2,3)14-5-9-4-12-6-10(16-9)17-8-13-7-15-17/h4,6-8,14H,5H2,1-3H3
InChIKeyDOBBSLREXVWMTJ-UHFFFAOYSA-N
XLogP0.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine (CID 66450349) is 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1cncc(-n2cncn2)n1.
What is the InChIKey of 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is DOBBSLREXVWMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-11(2,3)14-5-9-4-12-6-10(16-9)17-8-13-7-15-17/h4,6-8,14H,5H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 232.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66450349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).