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

C14H20ClFN6O — CID 154896237

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide;hydrochloride
SMILESCc1cc(C)n2nc(CC(=O)NC[C@@H]3C[C@H](F)CN3)nc2n1.Cl
InChIInChI=1S/C14H19FN6O.ClH/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);1H/t10-,11-;/m0./s1
InChIKeyUPDLWXPXSSZQRH-ACMTZBLWSA-N
MW342.81 g/mol
LogP0.52
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;hydrochloride

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide;hydrochloride (PubChem CID 154896237) has the molecular formula C14H20ClFN6O and a molecular weight of 342.81 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;hydrochloride.

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;hydrochloride
PubChem CID154896237
Molecular FormulaC14H20ClFN6O
Molecular Weight342.81 g/mol
Exact Mass342.14
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide;hydrochloride
SMILESCc1cc(C)n2nc(CC(=O)NC[C@@H]3C[C@H](F)CN3)nc2n1.Cl
InChIInChI=1S/C14H19FN6O.ClH/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);1H/t10-,11-;/m0./s1
InChIKeyUPDLWXPXSSZQRH-ACMTZBLWSA-N
XLogP0.52
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 50.52
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;hydrochloride with MolForge

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Related Compounds

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 110893825
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CID 125172240
N-cycloheptyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 50950633
4-[[[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 56796991
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CID 97053822
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38766637
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]acetamide
CID 99975390
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 166416441
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119492867
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CID 120737988

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;hydrochloride?
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;hydrochloride (CID 154896237) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide;hydrochloride.
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;hydrochloride?
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;hydrochloride is Cc1cc(C)n2nc(CC(=O)NC[C@@H]3C[C@H](F)CN3)nc2n1.Cl.
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;hydrochloride?
The InChIKey is UPDLWXPXSSZQRH-ACMTZBLWSA-N. The full InChI is InChI=1S/C14H19FN6O.ClH/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);1H/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;hydrochloride?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 342.81 g/mol, XLogP of 0.52, 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;hydrochloride is sourced from PubChem (CID 154896237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).