8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one

C13H16F3N5O2 — CID 44611069

IUPAC8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCn1c(=O)c(C(F)(F)F)nc2c(N)cc(NCCO)nc21
InChIInChI=1S/C13H16F3N5O2/c1-2-4-21-11-9(20-10(12(21)23)13(14,15)16)7(17)6-8(19-11)18-3-5-22/h6,22H,2-5H2,1H3,(H3,17,18,19)
InChIKeyPSAWASZKURPAEF-UHFFFAOYSA-N
MW331.30 g/mol
LogP1.21
Rot. Bonds5

About 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one

8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 44611069) has the molecular formula C13H16F3N5O2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID44611069
Molecular FormulaC13H16F3N5O2
Molecular Weight331.30 g/mol
Exact Mass331.13
IUPAC Name8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCCCn1c(=O)c(C(F)(F)F)nc2c(N)cc(NCCO)nc21
InChIInChI=1S/C13H16F3N5O2/c1-2-4-21-11-9(20-10(12(21)23)13(14,15)16)7(17)6-8(19-11)18-3-5-22/h6,22H,2-5H2,1H3,(H3,17,18,19)
InChIKeyPSAWASZKURPAEF-UHFFFAOYSA-N
XLogP1.21
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one (CID 44611069) is 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one is CCCn1c(=O)c(C(F)(F)F)nc2c(N)cc(NCCO)nc21.
What is the InChIKey of 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is PSAWASZKURPAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2/c1-2-4-21-11-9(20-10(12(21)23)13(14,15)16)7(17)6-8(19-11)18-3-5-22/h6,22H,2-5H2,1H3,(H3,17,18,19).
What are the key properties of 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one?
8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 331.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(2-hydroxyethylamino)-4-propyl-2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 44611069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).