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

C12H16F3N5 — CID 69362070

IUPAC6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)CCCc1c(C(F)(F)F)nc2ncnn2c1N
InChIInChI=1S/C12H16F3N5/c1-7(2)4-3-5-8-9(12(13,14)15)19-11-17-6-18-20(11)10(8)16/h6-7H,3-5,16H2,1-2H3
InChIKeyFJUXTCSZGGXKGG-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.70
Rot. Bonds4

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

6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69362070) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69362070
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)CCCc1c(C(F)(F)F)nc2ncnn2c1N
InChIInChI=1S/C12H16F3N5/c1-7(2)4-3-5-8-9(12(13,14)15)19-11-17-6-18-20(11)10(8)16/h6-7H,3-5,16H2,1-2H3
InChIKeyFJUXTCSZGGXKGG-UHFFFAOYSA-N
XLogP2.70
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69362070) is 6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)CCCc1c(C(F)(F)F)nc2ncnn2c1N.
What is the InChIKey of 6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FJUXTCSZGGXKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-7(2)4-3-5-8-9(12(13,14)15)19-11-17-6-18-20(11)10(8)16/h6-7H,3-5,16H2,1-2H3.
What are the key properties of 6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 287.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69362070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).