1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C14H15F2N5 — CID 13385793

IUPAC1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(NC(C)C)nc3cc(F)c(F)cc3n12
InChIInChI=1S/C14H15F2N5/c1-4-12-19-20-14-13(17-7(2)3)18-10-5-8(15)9(16)6-11(10)21(12)14/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyADWNEKQETWWCTH-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.94
Rot. Bonds3

About 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385793) has the molecular formula C14H15F2N5 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385793
Molecular FormulaC14H15F2N5
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(NC(C)C)nc3cc(F)c(F)cc3n12
InChIInChI=1S/C14H15F2N5/c1-4-12-19-20-14-13(17-7(2)3)18-10-5-8(15)9(16)6-11(10)21(12)14/h5-7H,4H2,1-3H3,(H,17,18)
InChIKeyADWNEKQETWWCTH-UHFFFAOYSA-N
XLogP2.94
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385793) is 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(NC(C)C)nc3cc(F)c(F)cc3n12.
What is the InChIKey of 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is ADWNEKQETWWCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5/c1-4-12-19-20-14-13(17-7(2)3)18-10-5-8(15)9(16)6-11(10)21(12)14/h5-7H,4H2,1-3H3,(H,17,18).
What are the key properties of 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 291.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7,8-difluoro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).