6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C9H10F3N5 — CID 69362710

IUPAC6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1c(C(F)(F)F)nc2ncnn2c1N
InChIInChI=1S/C9H10F3N5/c1-2-3-5-6(9(10,11)12)16-8-14-4-15-17(8)7(5)13/h4H,2-3,13H2,1H3
InChIKeyROIJUDMJRSKCSO-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.68
Rot. Bonds2

About 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69362710) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69362710
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1c(C(F)(F)F)nc2ncnn2c1N
InChIInChI=1S/C9H10F3N5/c1-2-3-5-6(9(10,11)12)16-8-14-4-15-17(8)7(5)13/h4H,2-3,13H2,1H3
InChIKeyROIJUDMJRSKCSO-UHFFFAOYSA-N
XLogP1.68
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69362710) is 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1c(C(F)(F)F)nc2ncnn2c1N.
What is the InChIKey of 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ROIJUDMJRSKCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-2-3-5-6(9(10,11)12)16-8-14-4-15-17(8)7(5)13/h4H,2-3,13H2,1H3.
What are the key properties of 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 245.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69362710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).