1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol

C10H17N3O — CID 114476222

IUPAC1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol
SMILESCCC(O)CNc1cnc(C)c(C)n1
InChIInChI=1S/C10H17N3O/c1-4-9(14)5-12-10-6-11-7(2)8(3)13-10/h6,9,14H,4-5H2,1-3H3,(H,12,13)
InChIKeyJYUOWZALDXTYPT-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.28
Rot. Bonds4

About 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol

1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol (PubChem CID 114476222) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol
PubChem CID114476222
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol
SMILESCCC(O)CNc1cnc(C)c(C)n1
InChIInChI=1S/C10H17N3O/c1-4-9(14)5-12-10-6-11-7(2)8(3)13-10/h6,9,14H,4-5H2,1-3H3,(H,12,13)
InChIKeyJYUOWZALDXTYPT-UHFFFAOYSA-N
XLogP1.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol?
The IUPAC name of 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol (CID 114476222) is 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol?
The canonical SMILES for 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol is CCC(O)CNc1cnc(C)c(C)n1.
What is the InChIKey of 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol?
The InChIKey is JYUOWZALDXTYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-9(14)5-12-10-6-11-7(2)8(3)13-10/h6,9,14H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol?
1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol has a molecular weight of 195.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethylpyrazin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 114476222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).