N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine

C11H16F2N4 — CID 11680314

IUPACN-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine
SMILESCCNc1nc(F)c2c(c1F)N(C)CCN2C
InChIInChI=1S/C11H16F2N4/c1-4-14-11-7(12)8-9(10(13)15-11)17(3)6-5-16(8)2/h4-6H2,1-3H3,(H,14,15)
InChIKeyXBESTZPXLJEABH-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.68
Rot. Bonds2

About N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine

N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine (PubChem CID 11680314) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine.

Molecular Properties

Compound NameN-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine
PubChem CID11680314
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine
SMILESCCNc1nc(F)c2c(c1F)N(C)CCN2C
InChIInChI=1S/C11H16F2N4/c1-4-14-11-7(12)8-9(10(13)15-11)17(3)6-5-16(8)2/h4-6H2,1-3H3,(H,14,15)
InChIKeyXBESTZPXLJEABH-UHFFFAOYSA-N
XLogP1.68
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine?
The IUPAC name of N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine (CID 11680314) is N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine.
What is the SMILES notation for N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine?
The canonical SMILES for N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine is CCNc1nc(F)c2c(c1F)N(C)CCN2C.
What is the InChIKey of N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine?
The InChIKey is XBESTZPXLJEABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c1-4-14-11-7(12)8-9(10(13)15-11)17(3)6-5-16(8)2/h4-6H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine?
N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine has a molecular weight of 242.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine is sourced from PubChem (CID 11680314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).