6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine

C12H18N6O — CID 133449496

IUPAC6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine
SMILESCC(C)COc1cncc(NCCn2ccnn2)n1
InChIInChI=1S/C12H18N6O/c1-10(2)9-19-12-8-13-7-11(16-12)14-3-5-18-6-4-15-17-18/h4,6-8,10H,3,5,9H2,1-2H3,(H,14,16)
InChIKeyMKAPULZTSNRNNV-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.22
Rot. Bonds7

About 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine

6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine (PubChem CID 133449496) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine
PubChem CID133449496
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine
SMILESCC(C)COc1cncc(NCCn2ccnn2)n1
InChIInChI=1S/C12H18N6O/c1-10(2)9-19-12-8-13-7-11(16-12)14-3-5-18-6-4-15-17-18/h4,6-8,10H,3,5,9H2,1-2H3,(H,14,16)
InChIKeyMKAPULZTSNRNNV-UHFFFAOYSA-N
XLogP1.22
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine (CID 133449496) is 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine is CC(C)COc1cncc(NCCn2ccnn2)n1.
What is the InChIKey of 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine?
The InChIKey is MKAPULZTSNRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-10(2)9-19-12-8-13-7-11(16-12)14-3-5-18-6-4-15-17-18/h4,6-8,10H,3,5,9H2,1-2H3,(H,14,16).
What are the key properties of 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine?
6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-N-[2-(triazol-1-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 133449496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).