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

C11H17N5O2 — CID 66271542

IUPAC2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)NCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O2/c1-8(2)13-5-9(17)7-16-11(18)15-4-3-12-6-10(15)14-16/h3-4,6,8-9,13,17H,5,7H2,1-2H3
InChIKeyZXENQGMKVGALBO-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.75
Rot. Bonds5

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

2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271542) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271542
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCC(C)NCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O2/c1-8(2)13-5-9(17)7-16-11(18)15-4-3-12-6-10(15)14-16/h3-4,6,8-9,13,17H,5,7H2,1-2H3
InChIKeyZXENQGMKVGALBO-UHFFFAOYSA-N
XLogP-0.75
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271542) is 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CC(C)NCC(O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ZXENQGMKVGALBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-8(2)13-5-9(17)7-16-11(18)15-4-3-12-6-10(15)14-16/h3-4,6,8-9,13,17H,5,7H2,1-2H3.
What are the key properties of 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 251.29 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).