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

C11H17N5O2 — CID 66271541

IUPAC2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O2/c1-2-3-12-6-9(17)8-16-11(18)15-5-4-13-7-10(15)14-16/h4-5,7,9,12,17H,2-3,6,8H2,1H3
InChIKeyILUZMRKJBGNOMX-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.75
Rot. Bonds6

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

2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271541) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271541
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCCNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H17N5O2/c1-2-3-12-6-9(17)8-16-11(18)15-5-4-13-7-10(15)14-16/h4-5,7,9,12,17H,2-3,6,8H2,1H3
InChIKeyILUZMRKJBGNOMX-UHFFFAOYSA-N
XLogP-0.75
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271542
2-[2-(propylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271749
2-[3-(cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271324
2-[2-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66272397
2-[3-(2-methylpropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271539
2-[(2R)-2-aminopropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 103934851
2-(4-hydroxyhexyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 106802579
2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271113
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
CID 66273458
2-[2-(2,4-dimethylphenyl)-2-hydroxyethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66273056
2-[3-(ethylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66274308
methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
CID 66273457

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271541) is 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCCNCC(O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is ILUZMRKJBGNOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-3-12-6-9(17)8-16-11(18)15-5-4-13-7-10(15)14-16/h4-5,7,9,12,17H,2-3,6,8H2,1H3.
What are the key properties of 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 251.29 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).