2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine

C16H21N5O2 — CID 90800918

IUPAC2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine
SMILESCC.CN.Nc1nc2c(Oc3ccccc3)ccnc2[nH]c1=O
InChIInChI=1S/C13H10N4O2.C2H6.CH5N/c14-11-13(18)17-12-10(16-11)9(6-7-15-12)19-8-4-2-1-3-5-8;2*1-2/h1-7H,(H2,14,16)(H,15,17,18);1-2H3;2H2,1H3
InChIKeyWNTSELWRGXVVDH-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.29
Rot. Bonds2

About 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine

2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine (PubChem CID 90800918) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine.

Molecular Properties

Compound Name2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine
PubChem CID90800918
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine
SMILESCC.CN.Nc1nc2c(Oc3ccccc3)ccnc2[nH]c1=O
InChIInChI=1S/C13H10N4O2.C2H6.CH5N/c14-11-13(18)17-12-10(16-11)9(6-7-15-12)19-8-4-2-1-3-5-8;2*1-2/h1-7H,(H2,14,16)(H,15,17,18);1-2H3;2H2,1H3
InChIKeyWNTSELWRGXVVDH-UHFFFAOYSA-N
XLogP2.29
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine?
The IUPAC name of 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine (CID 90800918) is 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine.
What is the SMILES notation for 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine?
The canonical SMILES for 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine is CC.CN.Nc1nc2c(Oc3ccccc3)ccnc2[nH]c1=O.
What is the InChIKey of 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine?
The InChIKey is WNTSELWRGXVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2.C2H6.CH5N/c14-11-13(18)17-12-10(16-11)9(6-7-15-12)19-8-4-2-1-3-5-8;2*1-2/h1-7H,(H2,14,16)(H,15,17,18);1-2H3;2H2,1H3.
What are the key properties of 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine?
2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine has a molecular weight of 315.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine is sourced from PubChem (CID 90800918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).