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

C9H10F3N5 — CID 63226890

IUPAC5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCC(F)(F)F)n2ncnc2n1
InChIInChI=1S/C9H10F3N5/c1-6-4-7(13-3-2-9(10,11)12)17-8(16-6)14-5-15-17/h4-5,13H,2-3H2,1H3
InChIKeyKKTNGHNXBTVQRR-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.80
Rot. Bonds3

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

5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 63226890) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID63226890
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCC(F)(F)F)n2ncnc2n1
InChIInChI=1S/C9H10F3N5/c1-6-4-7(13-3-2-9(10,11)12)17-8(16-6)14-5-15-17/h4-5,13H,2-3H2,1H3
InChIKeyKKTNGHNXBTVQRR-UHFFFAOYSA-N
XLogP1.80
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 63226890) is 5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCC(F)(F)F)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KKTNGHNXBTVQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-6-4-7(13-3-2-9(10,11)12)17-8(16-6)14-5-15-17/h4-5,13H,2-3H2,1H3.
What are the key properties of 5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 245.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 63226890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).