methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C8H6F2N4O2 — CID 103200467

IUPACmethyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2nccc(C(F)F)n2n1
InChIInChI=1S/C8H6F2N4O2/c1-16-7(15)6-12-8-11-3-2-4(5(9)10)14(8)13-6/h2-3,5H,1H3
InChIKeyJZTCLYPZJSRMOW-UHFFFAOYSA-N
MW228.16 g/mol
LogP0.85
Rot. Bonds2

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

methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 103200467) has the molecular formula C8H6F2N4O2 and a molecular weight of 228.16 g/mol. Its IUPAC name is methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID103200467
Molecular FormulaC8H6F2N4O2
Molecular Weight228.16 g/mol
Exact Mass228.05
IUPAC Namemethyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2nccc(C(F)F)n2n1
InChIInChI=1S/C8H6F2N4O2/c1-16-7(15)6-12-8-11-3-2-4(5(9)10)14(8)13-6/h2-3,5H,1H3
InChIKeyJZTCLYPZJSRMOW-UHFFFAOYSA-N
XLogP0.85
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-Oxo-2-(prop-2-enylamino)ethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2392420
Methyl 5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 646869
[2-[Bis(2-methylpropyl)amino]-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2410771
[2-Oxo-2-(prop-2-enylcarbamoylamino)ethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2482804
7-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 3697061
5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 21613028
3-[7-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
CID 25248714
Methyl 4-(difluoromethyl)pyrimidine-2-carboxylate
CID 89602732
Ethyl 7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine-3-carboxylate
CID 63355803
[(2R)-oxolan-2-yl]methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 51643550
5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 12012772
Methyl 7-chloro-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 22368426

Frequently Asked Questions

What is the IUPAC name of methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 103200467) is methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1nc2nccc(C(F)F)n2n1.
What is the InChIKey of methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is JZTCLYPZJSRMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O2/c1-16-7(15)6-12-8-11-3-2-4(5(9)10)14(8)13-6/h2-3,5H,1H3.
What are the key properties of methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 228.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).