5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine

C6H3ClF2N4O — CID 167327370

IUPAC5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESFC(F)Oc1cnc(Cl)n2cnnc12
InChIInChI=1S/C6H3ClF2N4O/c7-5-10-1-3(14-6(8)9)4-12-11-2-13(4)5/h1-2,6H
InChIKeyVPGDHXZYKNRYRN-UHFFFAOYSA-N
MW220.57 g/mol
LogP1.38
Rot. Bonds2

About 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine

5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 167327370) has the molecular formula C6H3ClF2N4O and a molecular weight of 220.57 g/mol. Its IUPAC name is 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID167327370
Molecular FormulaC6H3ClF2N4O
Molecular Weight220.57 g/mol
Exact Mass220.00
IUPAC Name5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESFC(F)Oc1cnc(Cl)n2cnnc12
InChIInChI=1S/C6H3ClF2N4O/c7-5-10-1-3(14-6(8)9)4-12-11-2-13(4)5/h1-2,6H
InChIKeyVPGDHXZYKNRYRN-UHFFFAOYSA-N
XLogP1.38
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.57
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,8-Dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 11446888
5,8-Dimethoxy[1,2,4]-triazolo[1,5-c]pyrimidine
CID 137796803
3-Bromo-6-(difluoromethoxy)pyrazolo[1,5-a]pyrimidine
CID 67325432
5-Bromo-8-[(2,2-difluorocyclopropyl)methoxy]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 156340701
5-Bromo-8-(3,3-difluorocyclobutyl)oxy-[1,2,4]triazolo[4,3-c]pyrimidine
CID 156341004
6-(2,2-Difluoroethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
CID 171505657
8-Methoxy-3-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 357165
8-Methoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 357166
[1,2,4]Triazolo[4,3-c]pyrimidin-8-ol
CID 13721409
2-Chloro-5-fluoro-4-(4-methoxypyrazol-1-yl)pyrimidine
CID 130511223
6-(2,2-Difluoroethoxy)-3-methylpyrazolo[1,5-a]pyrimidine
CID 171505753
8-Methoxy-[1,2,4]triazolo[1,5-c]pyrimidine
CID 13721407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 167327370) is 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine is FC(F)Oc1cnc(Cl)n2cnnc12.
What is the InChIKey of 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is VPGDHXZYKNRYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2N4O/c7-5-10-1-3(14-6(8)9)4-12-11-2-13(4)5/h1-2,6H.
What are the key properties of 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine?
5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 220.57 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(difluoromethoxy)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 167327370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).