3-(propylamino)-3-pyrazin-2-ylbutan-1-ol

C11H19N3O — CID 65235148

IUPAC3-(propylamino)-3-pyrazin-2-ylbutan-1-ol
SMILESCCCNC(C)(CCO)c1cnccn1
InChIInChI=1S/C11H19N3O/c1-3-5-14-11(2,4-8-15)10-9-12-6-7-13-10/h6-7,9,14-15H,3-5,8H2,1-2H3
InChIKeyUEZKVSZIQVLHDC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.07
Rot. Bonds6

About 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol

3-(propylamino)-3-pyrazin-2-ylbutan-1-ol (PubChem CID 65235148) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol.

Molecular Properties

Compound Name3-(propylamino)-3-pyrazin-2-ylbutan-1-ol
PubChem CID65235148
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(propylamino)-3-pyrazin-2-ylbutan-1-ol
SMILESCCCNC(C)(CCO)c1cnccn1
InChIInChI=1S/C11H19N3O/c1-3-5-14-11(2,4-8-15)10-9-12-6-7-13-10/h6-7,9,14-15H,3-5,8H2,1-2H3
InChIKeyUEZKVSZIQVLHDC-UHFFFAOYSA-N
XLogP1.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol?
The IUPAC name of 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol (CID 65235148) is 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol.
What is the SMILES notation for 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol?
The canonical SMILES for 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol is CCCNC(C)(CCO)c1cnccn1.
What is the InChIKey of 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol?
The InChIKey is UEZKVSZIQVLHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-14-11(2,4-8-15)10-9-12-6-7-13-10/h6-7,9,14-15H,3-5,8H2,1-2H3.
What are the key properties of 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol?
3-(propylamino)-3-pyrazin-2-ylbutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-3-pyrazin-2-ylbutan-1-ol is sourced from PubChem (CID 65235148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).