N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C11H13F2N5O2 — CID 106168289

IUPACN-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NCC(F)(F)CO)cnc2ncnn12
InChIInChI=1S/C11H13F2N5O2/c1-2-8-7(3-14-10-16-6-17-18(8)10)9(20)15-4-11(12,13)5-19/h3,6,19H,2,4-5H2,1H3,(H,15,20)
InChIKeyUGPRNTBFFAMKDQ-UHFFFAOYSA-N
MW285.25 g/mol
LogP0.04
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 106168289) has the molecular formula C11H13F2N5O2 and a molecular weight of 285.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID106168289
Molecular FormulaC11H13F2N5O2
Molecular Weight285.25 g/mol
Exact Mass285.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCc1c(C(=O)NCC(F)(F)CO)cnc2ncnn12
InChIInChI=1S/C11H13F2N5O2/c1-2-8-7(3-14-10-16-6-17-18(8)10)9(20)15-4-11(12,13)5-19/h3,6,19H,2,4-5H2,1H3,(H,15,20)
InChIKeyUGPRNTBFFAMKDQ-UHFFFAOYSA-N
XLogP0.04
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 106168289) is N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCc1c(C(=O)NCC(F)(F)CO)cnc2ncnn12.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UGPRNTBFFAMKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O2/c1-2-8-7(3-14-10-16-6-17-18(8)10)9(20)15-4-11(12,13)5-19/h3,6,19H,2,4-5H2,1H3,(H,15,20).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 285.25 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 106168289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).