2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H15N5O2 — CID 66271327

IUPAC2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C10H15N5O2/c1-2-11-5-8(16)7-15-10(17)14-4-3-12-6-9(14)13-15/h3-4,6,8,11,16H,2,5,7H2,1H3
InChIKeyHPPMXPSLLNHUMP-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.14
Rot. Bonds5

About 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271327) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66271327
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCNCC(O)Cn1nc2cnccn2c1=O
InChIInChI=1S/C10H15N5O2/c1-2-11-5-8(16)7-15-10(17)14-4-3-12-6-9(14)13-15/h3-4,6,8,11,16H,2,5,7H2,1H3
InChIKeyHPPMXPSLLNHUMP-UHFFFAOYSA-N
XLogP-1.14
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-fluoro-2-hydroxypropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 165720846
2-Butyl-8-(2-hydroxypropylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 69483287
2-[2-Hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165994
2-[3-(Ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43165995
2-[2-Hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43187973
2-[3-(Cyclopropylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271324
2-[2-Hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271325
2-(3-Amino-2-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271326
2-(2-Hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271337
2-[2-Hydroxy-3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271541
2-[2-Hydroxy-3-(propan-2-ylamino)propyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271542
2-(2-Hydroxybutyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 66271553

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271327) is 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCNCC(O)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is HPPMXPSLLNHUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-11-5-8(16)7-15-10(17)14-4-3-12-6-9(14)13-15/h3-4,6,8,11,16H,2,5,7H2,1H3.
What are the key properties of 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 237.26 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-2-hydroxypropyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).