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

C17H27N7O — CID 167954125

IUPACN-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide
SMILESCCCCc1cc(N2CCN(C)CC2CNC(C)=O)n2ncnc2n1
InChIInChI=1S/C17H27N7O/c1-4-5-6-14-9-16(24-17(21-14)19-12-20-24)23-8-7-22(3)11-15(23)10-18-13(2)25/h9,12,15H,4-8,10-11H2,1-3H3,(H,18,25)
InChIKeyRZSSHBKRTSCCBW-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.72
Rot. Bonds6

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

N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide (PubChem CID 167954125) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide
PubChem CID167954125
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC NameN-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide
SMILESCCCCc1cc(N2CCN(C)CC2CNC(C)=O)n2ncnc2n1
InChIInChI=1S/C17H27N7O/c1-4-5-6-14-9-16(24-17(21-14)19-12-20-24)23-8-7-22(3)11-15(23)10-18-13(2)25/h9,12,15H,4-8,10-11H2,1-3H3,(H,18,25)
InChIKeyRZSSHBKRTSCCBW-UHFFFAOYSA-N
XLogP0.72
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 2997733
N-cyclooctyl-2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3237142
N-cycloheptyl-2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]acetamide
CID 25210255
2-(cyclohexylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2334596
1-(5-Propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid ethylamide
CID 649450
2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide
CID 3238572
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 25210257
N-(1-acetylpiperidin-4-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 53524067
5-propyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53577695
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53586326

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide (CID 167954125) is N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide is CCCCc1cc(N2CCN(C)CC2CNC(C)=O)n2ncnc2n1.
What is the InChIKey of N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide?
The InChIKey is RZSSHBKRTSCCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O/c1-4-5-6-14-9-16(24-17(21-14)19-12-20-24)23-8-7-22(3)11-15(23)10-18-13(2)25/h9,12,15H,4-8,10-11H2,1-3H3,(H,18,25).
What are the key properties of N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide?
N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-methylpiperazin-2-yl]methyl]acetamide is sourced from PubChem (CID 167954125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).