N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C12H15F2N5O2 — CID 107483189

IUPACN-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)N(CCO)CC(F)F)cnc2ncnn12
InChIInChI=1S/C12H15F2N5O2/c1-2-9-8(5-15-12-16-7-17-19(9)12)11(21)18(3-4-20)6-10(13)14/h5,7,10,20H,2-4,6H2,1H3
InChIKeyJBPZSOAHLFXXOF-UHFFFAOYSA-N
MW299.28 g/mol
LogP0.39
Rot. Bonds6

About N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 107483189) has the molecular formula C12H15F2N5O2 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID107483189
Molecular FormulaC12H15F2N5O2
Molecular Weight299.28 g/mol
Exact Mass299.12
IUPAC NameN-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)N(CCO)CC(F)F)cnc2ncnn12
InChIInChI=1S/C12H15F2N5O2/c1-2-9-8(5-15-12-16-7-17-19(9)12)11(21)18(3-4-20)6-10(13)14/h5,7,10,20H,2-4,6H2,1H3
InChIKeyJBPZSOAHLFXXOF-UHFFFAOYSA-N
XLogP0.39
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 107483189) is N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)N(CCO)CC(F)F)cnc2ncnn12.
What is the InChIKey of N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is JBPZSOAHLFXXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O2/c1-2-9-8(5-15-12-16-7-17-19(9)12)11(21)18(3-4-20)6-10(13)14/h5,7,10,20H,2-4,6H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-7-ethyl-N-(2-hydroxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 107483189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).