5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

C12H11FN6 — CID 67252788

IUPAC5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCNc1ncc(-c2ccc(F)cc2)n2c(N)nnc12
InChIInChI=1S/C12H11FN6/c1-15-10-11-17-18-12(14)19(11)9(6-16-10)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,18)(H,15,16)
InChIKeySFMSASJCCVXLLW-UHFFFAOYSA-N
MW258.26 g/mol
LogP1.55
Rot. Bonds2

About 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine

5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (PubChem CID 67252788) has the molecular formula C12H11FN6 and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
PubChem CID67252788
Molecular FormulaC12H11FN6
Molecular Weight258.26 g/mol
Exact Mass258.10
IUPAC Name5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
SMILESCNc1ncc(-c2ccc(F)cc2)n2c(N)nnc12
InChIInChI=1S/C12H11FN6/c1-15-10-11-17-18-12(14)19(11)9(6-16-10)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,18)(H,15,16)
InChIKeySFMSASJCCVXLLW-UHFFFAOYSA-N
XLogP1.55
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The IUPAC name of 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine (CID 67252788) is 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine.
What is the SMILES notation for 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The canonical SMILES for 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is CNc1ncc(-c2ccc(F)cc2)n2c(N)nnc12.
What is the InChIKey of 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
The InChIKey is SFMSASJCCVXLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6/c1-15-10-11-17-18-12(14)19(11)9(6-16-10)7-2-4-8(13)5-3-7/h2-6H,1H3,(H2,14,18)(H,15,16).
What are the key properties of 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine?
5-(4-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 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine is sourced from PubChem (CID 67252788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).