N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide

C13H17ClN6O — CID 102919228

IUPACN-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(Cl)nc3ncnn23)CC1
InChIInChI=1S/C13H17ClN6O/c1-9(21)15-7-10-2-4-19(5-3-10)12-6-11(14)18-13-16-8-17-20(12)13/h6,8,10H,2-5,7H2,1H3,(H,15,21)
InChIKeyRIRVINOQEDTBSM-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.13
Rot. Bonds3

About N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide

N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 102919228) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
PubChem CID102919228
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC NameN-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(Cl)nc3ncnn23)CC1
InChIInChI=1S/C13H17ClN6O/c1-9(21)15-7-10-2-4-19(5-3-10)12-6-11(14)18-13-16-8-17-20(12)13/h6,8,10H,2-5,7H2,1H3,(H,15,21)
InChIKeyRIRVINOQEDTBSM-UHFFFAOYSA-N
XLogP1.13
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
CID 102919086
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
(3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687450
7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919125
5-chloro-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918816
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpyrrolidine-3-carboxamide
CID 114082399
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
CID 115657951
N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide
CID 167954125
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
CID 102919198
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide (CID 102919228) is N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2cc(Cl)nc3ncnn23)CC1.
What is the InChIKey of N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is RIRVINOQEDTBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-9(21)15-7-10-2-4-19(5-3-10)12-6-11(14)18-13-16-8-17-20(12)13/h6,8,10H,2-5,7H2,1H3,(H,15,21).
What are the key properties of N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide?
N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 308.77 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102919228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).