2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol

C13H19N5O — CID 86815674

IUPAC2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C13H19N5O/c1-2-6-17(8-9-19)12-13-16-15-11(10-3-4-10)18(13)7-5-14-12/h5,7,10,19H,2-4,6,8-9H2,1H3
InChIKeyMSTKYUYQLPGYGY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.21
Rot. Bonds6

About 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol

2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol (PubChem CID 86815674) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol
PubChem CID86815674
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nccn2c(C3CC3)nnc12
InChIInChI=1S/C13H19N5O/c1-2-6-17(8-9-19)12-13-16-15-11(10-3-4-10)18(13)7-5-14-12/h5,7,10,19H,2-4,6,8-9H2,1H3
InChIKeyMSTKYUYQLPGYGY-UHFFFAOYSA-N
XLogP1.21
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol?
The IUPAC name of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol (CID 86815674) is 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol is CCCN(CCO)c1nccn2c(C3CC3)nnc12.
What is the InChIKey of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol?
The InChIKey is MSTKYUYQLPGYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-6-17(8-9-19)12-13-16-15-11(10-3-4-10)18(13)7-5-14-12/h5,7,10,19H,2-4,6,8-9H2,1H3.
What are the key properties of 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol?
2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol has a molecular weight of 261.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-propylamino]ethanol is sourced from PubChem (CID 86815674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).