3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one

C9H15N3O2 — CID 153362994

IUPAC3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one
SMILESCCNc1nc(CCCO)c[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-10-8-9(14)11-6-7(12-8)4-3-5-13/h6,13H,2-5H2,1H3,(H,10,12)(H,11,14)
InChIKeyYZPNJCPVIQXWBJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.13
Rot. Bonds5

About 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one

3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one (PubChem CID 153362994) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one
PubChem CID153362994
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one
SMILESCCNc1nc(CCCO)c[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-2-10-8-9(14)11-6-7(12-8)4-3-5-13/h6,13H,2-5H2,1H3,(H,10,12)(H,11,14)
InChIKeyYZPNJCPVIQXWBJ-UHFFFAOYSA-N
XLogP0.13
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one?
The IUPAC name of 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one (CID 153362994) is 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one is CCNc1nc(CCCO)c[nH]c1=O.
What is the InChIKey of 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one?
The InChIKey is YZPNJCPVIQXWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-10-8-9(14)11-6-7(12-8)4-3-5-13/h6,13H,2-5H2,1H3,(H,10,12)(H,11,14).
What are the key properties of 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one?
3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-5-(3-hydroxypropyl)-1H-pyrazin-2-one is sourced from PubChem (CID 153362994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).