5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H16F3N5O — CID 56820776

IUPAC5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(C)COCC(F)(F)F)n2ncnc2n1
InChIInChI=1S/C12H16F3N5O/c1-3-9-4-10(20-11(19-9)16-7-17-20)18-8(2)5-21-6-12(13,14)15/h4,7-8,18H,3,5-6H2,1-2H3
InChIKeyPXLSYTFCNWBROD-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.07
Rot. Bonds6

About 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56820776) has the molecular formula C12H16F3N5O and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID56820776
Molecular FormulaC12H16F3N5O
Molecular Weight303.29 g/mol
Exact Mass303.13
IUPAC Name5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(C)COCC(F)(F)F)n2ncnc2n1
InChIInChI=1S/C12H16F3N5O/c1-3-9-4-10(20-11(19-9)16-7-17-20)18-8(2)5-21-6-12(13,14)15/h4,7-8,18H,3,5-6H2,1-2H3
InChIKeyPXLSYTFCNWBROD-UHFFFAOYSA-N
XLogP2.07
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(3-morpholinopropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24219696
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56789651
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56790905
1-[(5-Ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 56815285
N-(oxetan-3-yl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 172450129
5-Ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 66742535
N-cyclopentyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429528
5-methyl-N-(2-morpholinoethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42589503
5-cyclopropyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 72102859
N-[(3-ethoxy-1-morpholin-4-ylcyclobutyl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99843715
2-[Cyclopentyl-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 121567224
6-ethyl-5-fluoro-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrimidin-4-amine
CID 164633271

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 56820776) is 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC(C)COCC(F)(F)F)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PXLSYTFCNWBROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5O/c1-3-9-4-10(20-11(19-9)16-7-17-20)18-8(2)5-21-6-12(13,14)15/h4,7-8,18H,3,5-6H2,1-2H3.
What are the key properties of 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 303.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56820776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).