1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one

C16H19N3O2 — CID 126769696

IUPAC1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one
SMILESCC(O)c1ccc(CNc2nccn(C3CC3)c2=O)cc1
InChIInChI=1S/C16H19N3O2/c1-11(20)13-4-2-12(3-5-13)10-18-15-16(21)19(9-8-17-15)14-6-7-14/h2-5,8-9,11,14,20H,6-7,10H2,1H3,(H,17,18)
InChIKeyHRRQSELGNJRSFW-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.24
Rot. Bonds5

About 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one

1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one (PubChem CID 126769696) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one
PubChem CID126769696
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one
SMILESCC(O)c1ccc(CNc2nccn(C3CC3)c2=O)cc1
InChIInChI=1S/C16H19N3O2/c1-11(20)13-4-2-12(3-5-13)10-18-15-16(21)19(9-8-17-15)14-6-7-14/h2-5,8-9,11,14,20H,6-7,10H2,1H3,(H,17,18)
InChIKeyHRRQSELGNJRSFW-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one (CID 126769696) is 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one is CC(O)c1ccc(CNc2nccn(C3CC3)c2=O)cc1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one?
The InChIKey is HRRQSELGNJRSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(20)13-4-2-12(3-5-13)10-18-15-16(21)19(9-8-17-15)14-6-7-14/h2-5,8-9,11,14,20H,6-7,10H2,1H3,(H,17,18).
What are the key properties of 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one?
1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(1-hydroxyethyl)phenyl]methylamino]pyrazin-2-one is sourced from PubChem (CID 126769696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).