7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine

C8H7ClF2N4O — CID 104818862

IUPAC7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1nc2nc(C(F)F)cc(Cl)n2n1
InChIInChI=1S/C8H7ClF2N4O/c1-2-16-8-13-7-12-4(6(10)11)3-5(9)15(7)14-8/h3,6H,2H2,1H3
InChIKeyGHLRBUGFGQIVNK-UHFFFAOYSA-N
MW248.62 g/mol
LogP2.11
Rot. Bonds3

About 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 104818862) has the molecular formula C8H7ClF2N4O and a molecular weight of 248.62 g/mol. Its IUPAC name is 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID104818862
Molecular FormulaC8H7ClF2N4O
Molecular Weight248.62 g/mol
Exact Mass248.03
IUPAC Name7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1nc2nc(C(F)F)cc(Cl)n2n1
InChIInChI=1S/C8H7ClF2N4O/c1-2-16-8-13-7-12-4(6(10)11)3-5(9)15(7)14-8/h3,6H,2H2,1H3
InChIKeyGHLRBUGFGQIVNK-UHFFFAOYSA-N
XLogP2.11
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.62
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine (CID 104818862) is 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine is CCOc1nc2nc(C(F)F)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GHLRBUGFGQIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N4O/c1-2-16-8-13-7-12-4(6(10)11)3-5(9)15(7)14-8/h3,6H,2H2,1H3.
What are the key properties of 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 248.62 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(difluoromethyl)-2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104818862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).