5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C9H8ClF4N5 — CID 106293312

IUPAC5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC(F)(F)C(F)F
InChIInChI=1S/C9H8ClF4N5/c1-4-5(10)18-8-16-3-17-19(8)6(4)15-2-9(13,14)7(11)12/h3,7,15H,2H2,1H3
InChIKeyMNKIWAJVMWNGCG-UHFFFAOYSA-N
MW297.64 g/mol
LogP2.40
Rot. Bonds4

About 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 106293312) has the molecular formula C9H8ClF4N5 and a molecular weight of 297.64 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID106293312
Molecular FormulaC9H8ClF4N5
Molecular Weight297.64 g/mol
Exact Mass297.04
IUPAC Name5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC(F)(F)C(F)F
InChIInChI=1S/C9H8ClF4N5/c1-4-5(10)18-8-16-3-17-19(8)6(4)15-2-9(13,14)7(11)12/h3,7,15H,2H2,1H3
InChIKeyMNKIWAJVMWNGCG-UHFFFAOYSA-N
XLogP2.40
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.64
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 106293312) is 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NCC(F)(F)C(F)F.
What is the InChIKey of 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MNKIWAJVMWNGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF4N5/c1-4-5(10)18-8-16-3-17-19(8)6(4)15-2-9(13,14)7(11)12/h3,7,15H,2H2,1H3.
What are the key properties of 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.64 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(2,2,3,3-tetrafluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 106293312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).