2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol

C9H15N3O — CID 65417320

IUPAC2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol
SMILESCc1cnc(C)c(NC(C)CO)n1
InChIInChI=1S/C9H15N3O/c1-6-4-10-8(3)9(11-6)12-7(2)5-13/h4,7,13H,5H2,1-3H3,(H,11,12)
InChIKeyYYRROOIOOBGQCI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.89
Rot. Bonds3

About 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol

2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol (PubChem CID 65417320) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol
PubChem CID65417320
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol
SMILESCc1cnc(C)c(NC(C)CO)n1
InChIInChI=1S/C9H15N3O/c1-6-4-10-8(3)9(11-6)12-7(2)5-13/h4,7,13H,5H2,1-3H3,(H,11,12)
InChIKeyYYRROOIOOBGQCI-UHFFFAOYSA-N
XLogP0.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol (CID 65417320) is 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol is Cc1cnc(C)c(NC(C)CO)n1.
What is the InChIKey of 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol?
The InChIKey is YYRROOIOOBGQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-10-8(3)9(11-6)12-7(2)5-13/h4,7,13H,5H2,1-3H3,(H,11,12).
What are the key properties of 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol?
2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyrazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 65417320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).