7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C8H8F2N4O — CID 165483683

IUPAC7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(C(F)F)n2n1
InChIInChI=1S/C8H8F2N4O/c1-2-5-11-8-12-6(15)3-4(7(9)10)14(8)13-5/h3,7H,2H2,1H3,(H,11,12,13,15)
InChIKeyCSUMJDFXENJWKC-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.92
Rot. Bonds2

About 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 165483683) has the molecular formula C8H8F2N4O and a molecular weight of 214.18 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID165483683
Molecular FormulaC8H8F2N4O
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(=O)cc(C(F)F)n2n1
InChIInChI=1S/C8H8F2N4O/c1-2-5-11-8-12-6(15)3-4(7(9)10)14(8)13-5/h3,7H,2H2,1H3,(H,11,12,13,15)
InChIKeyCSUMJDFXENJWKC-UHFFFAOYSA-N
XLogP0.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135984239
4,5-Dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287873
2,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-5(1h)-one
CID 135562688
2-(3-methyl-1,2,4-triazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 172330599
(2Z)-N-(3-ethyl-1H-1,2,4-triazol-5-yl)-3-[(3-ethyl-1H-1,2,4-triazol-5-yl)amino]-4,4,4-trifluorobut-2-enamide
CID 25252022
C12H15F3N8O
CID 42652124
N-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-[(5-ethyl-1H-1,2,4-triazol-3-yl)amino]-4,4,4-trifluorobut-2-enamide
CID 71965004
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 135400034
2-methyl-N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 135456272
N-[5-oxo-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]butanamide
CID 135519707
7-Amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 135906284
7-Amino-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-ol hydrochloride
CID 137129998

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 165483683) is 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCc1nc2[nH]c(=O)cc(C(F)F)n2n1.
What is the InChIKey of 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is CSUMJDFXENJWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O/c1-2-5-11-8-12-6(15)3-4(7(9)10)14(8)13-5/h3,7H,2H2,1H3,(H,11,12,13,15).
What are the key properties of 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 214.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-ethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 165483683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).