N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H9F2N5 — CID 25263420

IUPACN-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2c(F)cccc2F)n2ncnc2n1
InChIInChI=1S/C12H9F2N5/c1-7-5-10(19-12(17-7)15-6-16-19)18-11-8(13)3-2-4-9(11)14/h2-6,18H,1H3
InChIKeyCMGBUYGATBBTGB-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.45
Rot. Bonds2

About N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 25263420) has the molecular formula C12H9F2N5 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID25263420
Molecular FormulaC12H9F2N5
Molecular Weight261.24 g/mol
Exact Mass261.08
IUPAC NameN-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2c(F)cccc2F)n2ncnc2n1
InChIInChI=1S/C12H9F2N5/c1-7-5-10(19-12(17-7)15-6-16-19)18-11-8(13)3-2-4-9(11)14/h2-6,18H,1H3
InChIKeyCMGBUYGATBBTGB-UHFFFAOYSA-N
XLogP2.45
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 25263420) is N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2c(F)cccc2F)n2ncnc2n1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CMGBUYGATBBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5/c1-7-5-10(19-12(17-7)15-6-16-19)18-11-8(13)3-2-4-9(11)14/h2-6,18H,1H3.
What are the key properties of N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 261.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 25263420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).