6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine

C12H17N7 — CID 80958892

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C12H17N7/c1-8(2)12-15-9(13)5-10(16-12)18-3-4-19-7-14-17-11(19)6-18/h5,7-8H,3-4,6H2,1-2H3,(H2,13,15,16)
InChIKeyQLQRSCJOQDWDON-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.79
Rot. Bonds2

About 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80958892) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80958892
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CCn3cnnc3C2)n1
InChIInChI=1S/C12H17N7/c1-8(2)12-15-9(13)5-10(16-12)18-3-4-19-7-14-17-11(19)6-18/h5,7-8H,3-4,6H2,1-2H3,(H2,13,15,16)
InChIKeyQLQRSCJOQDWDON-UHFFFAOYSA-N
XLogP0.79
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine (CID 80958892) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(N)cc(N2CCn3cnnc3C2)n1.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QLQRSCJOQDWDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-8(2)12-15-9(13)5-10(16-12)18-3-4-19-7-14-17-11(19)6-18/h5,7-8H,3-4,6H2,1-2H3,(H2,13,15,16).
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 259.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80958892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).