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

C7H5ClF2N4O — CID 83096633

IUPAC7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1nc2nc(C(F)F)cc(Cl)n2n1
InChIInChI=1S/C7H5ClF2N4O/c1-15-7-12-6-11-3(5(9)10)2-4(8)14(6)13-7/h2,5H,1H3
InChIKeyUGOGTPONXPYOQG-UHFFFAOYSA-N
MW234.59 g/mol
LogP1.72
Rot. Bonds2

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

7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 83096633) has the molecular formula C7H5ClF2N4O and a molecular weight of 234.59 g/mol. Its IUPAC name is 7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID83096633
Molecular FormulaC7H5ClF2N4O
Molecular Weight234.59 g/mol
Exact Mass234.01
IUPAC Name7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1nc2nc(C(F)F)cc(Cl)n2n1
InChIInChI=1S/C7H5ClF2N4O/c1-15-7-12-6-11-3(5(9)10)2-4(8)14(6)13-7/h2,5H,1H3
InChIKeyUGOGTPONXPYOQG-UHFFFAOYSA-N
XLogP1.72
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.59
LogP ≤ 51.72
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-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine (CID 83096633) is 7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine is COc1nc2nc(C(F)F)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is UGOGTPONXPYOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N4O/c1-15-7-12-6-11-3(5(9)10)2-4(8)14(6)13-7/h2,5H,1H3.
What are the key properties of 7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-(difluoromethyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 234.59 g/mol, XLogP of 1.72, 2 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-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 83096633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).