2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol

C12H14F3N5O — CID 133349819

IUPAC2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCc1cc(N(CCO)C2CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H14F3N5O/c1-7-6-9(19(4-5-21)8-2-3-8)20-11(16-7)17-10(18-20)12(13,14)15/h6,8,21H,2-5H2,1H3
InChIKeyKDRWCSYWTCPJOD-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.41
Rot. Bonds4

About 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol

2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (PubChem CID 133349819) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
PubChem CID133349819
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
SMILESCc1cc(N(CCO)C2CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H14F3N5O/c1-7-6-9(19(4-5-21)8-2-3-8)20-11(16-7)17-10(18-20)12(13,14)15/h6,8,21H,2-5H2,1H3
InChIKeyKDRWCSYWTCPJOD-UHFFFAOYSA-N
XLogP1.41
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol (CID 133349819) is 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is Cc1cc(N(CCO)C2CC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
The InChIKey is KDRWCSYWTCPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-7-6-9(19(4-5-21)8-2-3-8)20-11(16-7)17-10(18-20)12(13,14)15/h6,8,21H,2-5H2,1H3.
What are the key properties of 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol?
2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol has a molecular weight of 301.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanol is sourced from PubChem (CID 133349819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).