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

C13H20F2N4 — CID 11608730

IUPACN,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine
SMILESCCN(CC)c1nc(F)c2c(c1F)N(C)CCN2C
InChIInChI=1S/C13H20F2N4/c1-5-19(6-2)13-9(14)10-11(12(15)16-13)18(4)8-7-17(10)3/h5-8H2,1-4H3
InChIKeyPDKBXVSYLAZUTF-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.09
Rot. Bonds3

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

N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine (PubChem CID 11608730) has the molecular formula C13H20F2N4 and a molecular weight of 270.33 g/mol. Its IUPAC name is N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine.

Molecular Properties

Compound NameN,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine
PubChem CID11608730
Molecular FormulaC13H20F2N4
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC NameN,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine
SMILESCCN(CC)c1nc(F)c2c(c1F)N(C)CCN2C
InChIInChI=1S/C13H20F2N4/c1-5-19(6-2)13-9(14)10-11(12(15)16-13)18(4)8-7-17(10)3/h5-8H2,1-4H3
InChIKeyPDKBXVSYLAZUTF-UHFFFAOYSA-N
XLogP2.09
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
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,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine?
The IUPAC name of N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine (CID 11608730) is N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine.
What is the SMILES notation for N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine?
The canonical SMILES for N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine is CCN(CC)c1nc(F)c2c(c1F)N(C)CCN2C.
What is the InChIKey of N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine?
The InChIKey is PDKBXVSYLAZUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4/c1-5-19(6-2)13-9(14)10-11(12(15)16-13)18(4)8-7-17(10)3/h5-8H2,1-4H3.
What are the key properties of N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine?
N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine has a molecular weight of 270.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,8-difluoro-1,4-dimethyl-2,3-dihydropyrido[3,4-b]pyrazin-7-amine is sourced from PubChem (CID 11608730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).