3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one

C15H20N4O2 — CID 62929894

IUPAC3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(O)c2ccc(N)cc2)c1=O
InChIInChI=1S/C15H20N4O2/c1-2-8-19-9-7-17-14(15(19)21)18-10-13(20)11-3-5-12(16)6-4-11/h3-7,9,13,20H,2,8,10,16H2,1H3,(H,17,18)
InChIKeyQPELYAQEGPWOPA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.38
Rot. Bonds6

About 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one

3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one (PubChem CID 62929894) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one
PubChem CID62929894
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(O)c2ccc(N)cc2)c1=O
InChIInChI=1S/C15H20N4O2/c1-2-8-19-9-7-17-14(15(19)21)18-10-13(20)11-3-5-12(16)6-4-11/h3-7,9,13,20H,2,8,10,16H2,1H3,(H,17,18)
InChIKeyQPELYAQEGPWOPA-UHFFFAOYSA-N
XLogP1.38
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one
CID 62940894
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
CID 106435749
3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62927452
3-methyl-2-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]butanoic acid
CID 65226703
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
3-[1-(3-aminophenyl)ethylamino]-1-propylpyrazin-2-one
CID 62927796
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
6-[(3-oxo-4-propylpyrazin-2-yl)amino]hexanoic acid
CID 62938901
2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
CID 83113430
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-[(4-ethyl-3-oxopyrazin-2-yl)amino]-2-hydroxypropanamide
CID 106170778

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one (CID 62929894) is 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC(O)c2ccc(N)cc2)c1=O.
What is the InChIKey of 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one?
The InChIKey is QPELYAQEGPWOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-8-19-9-7-17-14(15(19)21)18-10-13(20)11-3-5-12(16)6-4-11/h3-7,9,13,20H,2,8,10,16H2,1H3,(H,17,18).
What are the key properties of 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one?
3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62929894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).