5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H19F3N6O — CID 32874851

IUPAC5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC[C@H](C)N2CCOCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H19F3N6O/c1-9-7-11(18-8-10(2)22-3-5-24-6-4-22)23-13(19-9)20-12(21-23)14(15,16)17/h7,10,18H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyHGVBWBVVCVZKMQ-JTQLQIEISA-N
MW344.34 g/mol
LogP1.58
Rot. Bonds4

About 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 32874851) has the molecular formula C14H19F3N6O and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID32874851
Molecular FormulaC14H19F3N6O
Molecular Weight344.34 g/mol
Exact Mass344.16
IUPAC Name5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC[C@H](C)N2CCOCC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H19F3N6O/c1-9-7-11(18-8-10(2)22-3-5-24-6-4-22)23-13(19-9)20-12(21-23)14(15,16)17/h7,10,18H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyHGVBWBVVCVZKMQ-JTQLQIEISA-N
XLogP1.58
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 32874851) is 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC[C@H](C)N2CCOCC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HGVBWBVVCVZKMQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19F3N6O/c1-9-7-11(18-8-10(2)22-3-5-24-6-4-22)23-13(19-9)20-12(21-23)14(15,16)17/h7,10,18H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 344.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 32874851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).