8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

C12H11FN6 — CID 58328640

IUPAC8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCN(c1cccc(F)c1)c1nccn2c(N)nnc12
InChIInChI=1S/C12H11FN6/c1-18(9-4-2-3-8(13)7-9)10-11-16-17-12(14)19(11)6-5-15-10/h2-7H,1H3,(H2,14,17)
InChIKeyBTJKFODFORLNBX-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.61
Rot. Bonds2

About 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (PubChem CID 58328640) has the molecular formula C12H11FN6 and a molecular weight of 258.26 g/mol. Its IUPAC name is 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
PubChem CID58328640
Molecular FormulaC12H11FN6
Molecular Weight258.26 g/mol
Exact Mass258.10
IUPAC Name8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCN(c1cccc(F)c1)c1nccn2c(N)nnc12
InChIInChI=1S/C12H11FN6/c1-18(9-4-2-3-8(13)7-9)10-11-16-17-12(14)19(11)6-5-15-10/h2-7H,1H3,(H2,14,17)
InChIKeyBTJKFODFORLNBX-UHFFFAOYSA-N
XLogP1.61
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The IUPAC name of 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (CID 58328640) is 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.
What is the SMILES notation for 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The canonical SMILES for 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is CN(c1cccc(F)c1)c1nccn2c(N)nnc12.
What is the InChIKey of 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The InChIKey is BTJKFODFORLNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6/c1-18(9-4-2-3-8(13)7-9)10-11-16-17-12(14)19(11)6-5-15-10/h2-7H,1H3,(H2,14,17).
What are the key properties of 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine has a molecular weight of 258.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is sourced from PubChem (CID 58328640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).