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

C11H13F2N5O2 — CID 107483269

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(CCO)CC(F)F)cnc2ncnn12
InChIInChI=1S/C11H13F2N5O2/c1-7-8(4-14-11-15-6-16-18(7)11)10(20)17(2-3-19)5-9(12)13/h4,6,9,19H,2-3,5H2,1H3
InChIKeyHZGVZNYPBXPAJB-UHFFFAOYSA-N
MW285.25 g/mol
LogP0.13
Rot. Bonds5

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 107483269) has the molecular formula C11H13F2N5O2 and a molecular weight of 285.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID107483269
Molecular FormulaC11H13F2N5O2
Molecular Weight285.25 g/mol
Exact Mass285.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(CCO)CC(F)F)cnc2ncnn12
InChIInChI=1S/C11H13F2N5O2/c1-7-8(4-14-11-15-6-16-18(7)11)10(20)17(2-3-19)5-9(12)13/h4,6,9,19H,2-3,5H2,1H3
InChIKeyHZGVZNYPBXPAJB-UHFFFAOYSA-N
XLogP0.13
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.13
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)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 107483269) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)N(CCO)CC(F)F)cnc2ncnn12.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HZGVZNYPBXPAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O2/c1-7-8(4-14-11-15-6-16-18(7)11)10(20)17(2-3-19)5-9(12)13/h4,6,9,19H,2-3,5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 285.25 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 107483269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).