2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide

C14H19FN6O — CID 70756280

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NC[C@@H]3C[C@H](F)CN3)nc2n1
InChIInChI=1S/C14H19FN6O/c1-8-3-9(2)21-14(18-8)19-12(20-21)5-13(22)17-7-11-4-10(15)6-16-11/h3,10-11,16H,4-7H2,1-2H3,(H,17,22)/t10-,11-/m0/s1
InChIKeyAWWNBTHXDLAXNW-QWRGUYRKSA-N
MW306.35 g/mol
LogP0.10
Rot. Bonds4

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide (PubChem CID 70756280) has the molecular formula C14H19FN6O and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
PubChem CID70756280
Molecular FormulaC14H19FN6O
Molecular Weight306.35 g/mol
Exact Mass306.16
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NC[C@@H]3C[C@H](F)CN3)nc2n1
InChIInChI=1S/C14H19FN6O/c1-8-3-9(2)21-14(18-8)19-12(20-21)5-13(22)17-7-11-4-10(15)6-16-11/h3,10-11,16H,4-7H2,1-2H3,(H,17,22)/t10-,11-/m0/s1
InChIKeyAWWNBTHXDLAXNW-QWRGUYRKSA-N
XLogP0.10
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide (CID 70756280) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide is Cc1cc(C)n2nc(CC(=O)NC[C@@H]3C[C@H](F)CN3)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The InChIKey is AWWNBTHXDLAXNW-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19FN6O/c1-8-3-9(2)21-14(18-8)19-12(20-21)5-13(22)17-7-11-4-10(15)6-16-11/h3,10-11,16H,4-7H2,1-2H3,(H,17,22)/t10-,11-/m0/s1.
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide has a molecular weight of 306.35 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 70756280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).