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

C9H10ClF2N5 — CID 103076950

IUPAC5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)CC(F)F
InChIInChI=1S/C9H10ClF2N5/c1-5-7(10)15-9-13-4-14-17(9)8(5)16(2)3-6(11)12/h4,6H,3H2,1-2H3
InChIKeyGBFQVOZGGYSABQ-UHFFFAOYSA-N
MW261.66 g/mol
LogP1.79
Rot. Bonds3

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

5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076950) has the molecular formula C9H10ClF2N5 and a molecular weight of 261.66 g/mol. Its IUPAC name is 5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076950
Molecular FormulaC9H10ClF2N5
Molecular Weight261.66 g/mol
Exact Mass261.06
IUPAC Name5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)CC(F)F
InChIInChI=1S/C9H10ClF2N5/c1-5-7(10)15-9-13-4-14-17(9)8(5)16(2)3-6(11)12/h4,6H,3H2,1-2H3
InChIKeyGBFQVOZGGYSABQ-UHFFFAOYSA-N
XLogP1.79
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076950) is 5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1N(C)CC(F)F.
What is the InChIKey of 5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GBFQVOZGGYSABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N5/c1-5-7(10)15-9-13-4-14-17(9)8(5)16(2)3-6(11)12/h4,6H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 261.66 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-difluoroethyl)-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).