2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C9H13N5O2 — CID 66271325

IUPAC2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C9H13N5O2/c1-10-4-7(15)6-14-9(16)13-3-2-11-5-8(13)12-14/h2-3,5,7,10,15H,4,6H2,1H3
InChIKeyZBFKCWNDXVUQCY-UHFFFAOYSA-N
MW223.24 g/mol
LogP-1.53
Rot. Bonds4

About 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271325) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271325
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C9H13N5O2/c1-10-4-7(15)6-14-9(16)13-3-2-11-5-8(13)12-14/h2-3,5,7,10,15H,4,6H2,1H3
InChIKeyZBFKCWNDXVUQCY-UHFFFAOYSA-N
XLogP-1.53
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271325) is 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CNCC(O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ZBFKCWNDXVUQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-10-4-7(15)6-14-9(16)13-3-2-11-5-8(13)12-14/h2-3,5,7,10,15H,4,6H2,1H3.
What are the key properties of 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 223.24 g/mol, XLogP of -1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).