2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one

C17H13N5O2 — CID 46901095

IUPAC2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one
SMILESNc1nc2c(Oc3ccc(N)c4ccccc34)ccnc2[nH]c1=O
InChIInChI=1S/C17H13N5O2/c18-11-5-6-12(10-4-2-1-3-9(10)11)24-13-7-8-20-16-14(13)21-15(19)17(23)22-16/h1-8H,18H2,(H2,19,21)(H,20,22,23)
InChIKeyVDYUQRSICBIRRQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.43
Rot. Bonds2

About 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one

2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 46901095) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one
PubChem CID46901095
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one
SMILESNc1nc2c(Oc3ccc(N)c4ccccc34)ccnc2[nH]c1=O
InChIInChI=1S/C17H13N5O2/c18-11-5-6-12(10-4-2-1-3-9(10)11)24-13-7-8-20-16-14(13)21-15(19)17(23)22-16/h1-8H,18H2,(H2,19,21)(H,20,22,23)
InChIKeyVDYUQRSICBIRRQ-UHFFFAOYSA-N
XLogP2.43
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one (CID 46901095) is 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one is Nc1nc2c(Oc3ccc(N)c4ccccc34)ccnc2[nH]c1=O.
What is the InChIKey of 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one?
The InChIKey is VDYUQRSICBIRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c18-11-5-6-12(10-4-2-1-3-9(10)11)24-13-7-8-20-16-14(13)21-15(19)17(23)22-16/h1-8H,18H2,(H2,19,21)(H,20,22,23).
What are the key properties of 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one?
2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 319.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-aminonaphthalen-1-yl)oxy-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 46901095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).