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

C10H12F3N5 — CID 69362701

IUPAC6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)Cc1c(C(F)(F)F)nc2ncnn2c1N
InChIInChI=1S/C10H12F3N5/c1-5(2)3-6-7(10(11,12)13)17-9-15-4-16-18(9)8(6)14/h4-5H,3,14H2,1-2H3
InChIKeyVCKDJRQQVOUBND-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.92
Rot. Bonds2

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

6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69362701) has the molecular formula C10H12F3N5 and a molecular weight of 259.23 g/mol. Its IUPAC name is 6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69362701
Molecular FormulaC10H12F3N5
Molecular Weight259.23 g/mol
Exact Mass259.10
IUPAC Name6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)Cc1c(C(F)(F)F)nc2ncnn2c1N
InChIInChI=1S/C10H12F3N5/c1-5(2)3-6-7(10(11,12)13)17-9-15-4-16-18(9)8(6)14/h4-5H,3,14H2,1-2H3
InChIKeyVCKDJRQQVOUBND-UHFFFAOYSA-N
XLogP1.92
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69362701) is 6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)Cc1c(C(F)(F)F)nc2ncnn2c1N.
What is the InChIKey of 6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VCKDJRQQVOUBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-5(2)3-6-7(10(11,12)13)17-9-15-4-16-18(9)8(6)14/h4-5H,3,14H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 259.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69362701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).