1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine

C9H10F3N5 — CID 79798485

IUPAC1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
SMILESCc1cc2nnc(C(C)(N)C(F)(F)F)n2cn1
InChIInChI=1S/C9H10F3N5/c1-5-3-6-15-16-7(17(6)4-14-5)8(2,13)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyVRVAVCGUBKTAHG-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.17
Rot. Bonds1

About 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine

1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine (PubChem CID 79798485) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
PubChem CID79798485
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine
SMILESCc1cc2nnc(C(C)(N)C(F)(F)F)n2cn1
InChIInChI=1S/C9H10F3N5/c1-5-3-6-15-16-7(17(6)4-14-5)8(2,13)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyVRVAVCGUBKTAHG-UHFFFAOYSA-N
XLogP1.17
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine (CID 79798485) is 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine is Cc1cc2nnc(C(C)(N)C(F)(F)F)n2cn1.
What is the InChIKey of 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
The InChIKey is VRVAVCGUBKTAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-5-3-6-15-16-7(17(6)4-14-5)8(2,13)9(10,11)12/h3-4H,13H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine?
1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine has a molecular weight of 245.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propan-2-amine is sourced from PubChem (CID 79798485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).