2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H19N5O2 — CID 69483287

IUPAC2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCCn1nc2c(NCC(C)O)nccn2c1=O
InChIInChI=1S/C12H19N5O2/c1-3-4-6-17-12(19)16-7-5-13-10(11(16)15-17)14-8-9(2)18/h5,7,9,18H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyKUZQWWNVSZMZFU-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.48
Rot. Bonds6

About 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 69483287) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID69483287
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCCn1nc2c(NCC(C)O)nccn2c1=O
InChIInChI=1S/C12H19N5O2/c1-3-4-6-17-12(19)16-7-5-13-10(11(16)15-17)14-8-9(2)18/h5,7,9,18H,3-4,6,8H2,1-2H3,(H,13,14)
InChIKeyKUZQWWNVSZMZFU-UHFFFAOYSA-N
XLogP0.48
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 69483287) is 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCCCn1nc2c(NCC(C)O)nccn2c1=O.
What is the InChIKey of 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is KUZQWWNVSZMZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-4-6-17-12(19)16-7-5-13-10(11(16)15-17)14-8-9(2)18/h5,7,9,18H,3-4,6,8H2,1-2H3,(H,13,14).
What are the key properties of 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 265.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 69483287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).