[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C18H24N8O — CID 46992391

IUPAC[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC(C)(C)c1cn(CC2CCCN(C(=O)c3nc4ncccn4n3)C2)nn1
InChIInChI=1S/C18H24N8O/c1-18(2,3)14-12-25(23-21-14)11-13-6-4-8-24(10-13)16(27)15-20-17-19-7-5-9-26(17)22-15/h5,7,9,12-13H,4,6,8,10-11H2,1-3H3
InChIKeyWESLLCRESYHEEK-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.57
Rot. Bonds3

About [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 46992391) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID46992391
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC(C)(C)c1cn(CC2CCCN(C(=O)c3nc4ncccn4n3)C2)nn1
InChIInChI=1S/C18H24N8O/c1-18(2,3)14-12-25(23-21-14)11-13-6-4-8-24(10-13)16(27)15-20-17-19-7-5-9-26(17)22-15/h5,7,9,12-13H,4,6,8,10-11H2,1-3H3
InChIKeyWESLLCRESYHEEK-UHFFFAOYSA-N
XLogP1.57
TPSA94.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 46995945
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 46987852
[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46997964
1-[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-2-(furan-2-yl)ethane-1,2-dione
CID 46988925
[(2R)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 125159352
[(3S)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 31053519
[3-[[4-(2-hydroxypropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 46986931
[(3S)-3-[(5-chloropyrimidin-2-yl)amino]pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 167941064
1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 46983393
3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
CID 135149499
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 75260817
N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 24870601

Frequently Asked Questions

What is the IUPAC name of [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 46992391) is [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is CC(C)(C)c1cn(CC2CCCN(C(=O)c3nc4ncccn4n3)C2)nn1.
What is the InChIKey of [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is WESLLCRESYHEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-18(2,3)14-12-25(23-21-14)11-13-6-4-8-24(10-13)16(27)15-20-17-19-7-5-9-26(17)22-15/h5,7,9,12-13H,4,6,8,10-11H2,1-3H3.
What are the key properties of [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 368.45 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 46992391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).