2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol

C12H14N4O — CID 155466010

IUPAC2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2ccc(N)nc2)n1
InChIInChI=1S/C12H14N4O/c1-12(2,17)10-7-14-6-9(16-10)8-3-4-11(13)15-5-8/h3-7,17H,1-2H3,(H2,13,15)
InChIKeyNPZZQAKGRPLABE-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.35
Rot. Bonds2

About 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol

2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol (PubChem CID 155466010) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol
PubChem CID155466010
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol
SMILESCC(C)(O)c1cncc(-c2ccc(N)nc2)n1
InChIInChI=1S/C12H14N4O/c1-12(2,17)10-7-14-6-9(16-10)8-3-4-11(13)15-5-8/h3-7,17H,1-2H3,(H2,13,15)
InChIKeyNPZZQAKGRPLABE-UHFFFAOYSA-N
XLogP1.35
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol (CID 155466010) is 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol is CC(C)(O)c1cncc(-c2ccc(N)nc2)n1.
What is the InChIKey of 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol?
The InChIKey is NPZZQAKGRPLABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-12(2,17)10-7-14-6-9(16-10)8-3-4-11(13)15-5-8/h3-7,17H,1-2H3,(H2,13,15).
What are the key properties of 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol?
2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol has a molecular weight of 230.27 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-amino-3-pyridinyl)pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 155466010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).