3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine

C10H6F2N6 — CID 139295565

IUPAC3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2c1nnn2-c1c(F)cccc1F
InChIInChI=1S/C10H6F2N6/c11-5-2-1-3-6(12)8(5)18-10-7(16-17-18)9(13)14-4-15-10/h1-4H,(H2,13,14,15)
InChIKeySNXZPTHRUOYHMV-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.07
Rot. Bonds1

About 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine

3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 139295565) has the molecular formula C10H6F2N6 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID139295565
Molecular FormulaC10H6F2N6
Molecular Weight248.20 g/mol
Exact Mass248.06
IUPAC Name3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1ncnc2c1nnn2-c1c(F)cccc1F
InChIInChI=1S/C10H6F2N6/c11-5-2-1-3-6(12)8(5)18-10-7(16-17-18)9(13)14-4-15-10/h1-4H,(H2,13,14,15)
InChIKeySNXZPTHRUOYHMV-UHFFFAOYSA-N
XLogP1.07
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine (CID 139295565) is 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine is Nc1ncnc2c1nnn2-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is SNXZPTHRUOYHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N6/c11-5-2-1-3-6(12)8(5)18-10-7(16-17-18)9(13)14-4-15-10/h1-4H,(H2,13,14,15).
What are the key properties of 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine?
3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 248.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 139295565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).