3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one

C14H18N4O2 — CID 62927452

IUPAC3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cc(N)ccc2O)c1=O
InChIInChI=1S/C14H18N4O2/c1-2-6-18-7-5-16-13(14(18)20)17-9-10-8-11(15)3-4-12(10)19/h3-5,7-8,19H,2,6,9,15H2,1H3,(H,16,17)
InChIKeyQQFHIKJYLJUJJI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.55
Rot. Bonds5

About 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one

3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one (PubChem CID 62927452) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one
PubChem CID62927452
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cc(N)ccc2O)c1=O
InChIInChI=1S/C14H18N4O2/c1-2-6-18-7-5-16-13(14(18)20)17-9-10-8-11(15)3-4-12(10)19/h3-5,7-8,19H,2,6,9,15H2,1H3,(H,16,17)
InChIKeyQQFHIKJYLJUJJI-UHFFFAOYSA-N
XLogP1.55
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one
CID 62929894
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-propylpyrazin-2-one
CID 62939002
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
CID 83113430
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one (CID 62927452) is 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2cc(N)ccc2O)c1=O.
What is the InChIKey of 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is QQFHIKJYLJUJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-6-18-7-5-16-13(14(18)20)17-9-10-8-11(15)3-4-12(10)19/h3-5,7-8,19H,2,6,9,15H2,1H3,(H,16,17).
What are the key properties of 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one?
3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-hydroxyphenyl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62927452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).