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

C13H11F2N5 — CID 5307958

IUPACN-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(F)cc2F)n2nc(C)nc2n1
InChIInChI=1S/C13H11F2N5/c1-7-5-12(20-13(16-7)17-8(2)19-20)18-11-4-3-9(14)6-10(11)15/h3-6,18H,1-2H3
InChIKeyKVIHYKANPOHTGD-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.76
Rot. Bonds2

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

N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5307958) has the molecular formula C13H11F2N5 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5307958
Molecular FormulaC13H11F2N5
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC NameN-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(F)cc2F)n2nc(C)nc2n1
InChIInChI=1S/C13H11F2N5/c1-7-5-12(20-13(16-7)17-8(2)19-20)18-11-4-3-9(14)6-10(11)15/h3-6,18H,1-2H3
InChIKeyKVIHYKANPOHTGD-UHFFFAOYSA-N
XLogP2.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5307958) is N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(F)cc2F)n2nc(C)nc2n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KVIHYKANPOHTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5/c1-7-5-12(20-13(16-7)17-8(2)19-20)18-11-4-3-9(14)6-10(11)15/h3-6,18H,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 275.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5307958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).