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

C8H8ClF2N5 — CID 103076834

IUPAC5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC(F)F
InChIInChI=1S/C8H8ClF2N5/c1-4-6(9)15-8-13-3-14-16(8)7(4)12-2-5(10)11/h3,5,12H,2H2,1H3
InChIKeyJPDSMMKAVNUADO-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.76
Rot. Bonds3

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

5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076834) has the molecular formula C8H8ClF2N5 and a molecular weight of 247.64 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076834
Molecular FormulaC8H8ClF2N5
Molecular Weight247.64 g/mol
Exact Mass247.04
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC(F)F
InChIInChI=1S/C8H8ClF2N5/c1-4-6(9)15-8-13-3-14-16(8)7(4)12-2-5(10)11/h3,5,12H,2H2,1H3
InChIKeyJPDSMMKAVNUADO-UHFFFAOYSA-N
XLogP1.76
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076834) is 5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NCC(F)F.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JPDSMMKAVNUADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N5/c1-4-6(9)15-8-13-3-14-16(8)7(4)12-2-5(10)11/h3,5,12H,2H2,1H3.
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 247.64 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).