2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide

C18H29N7O — CID 75395163

IUPAC2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1nc2ncnn2c(N2CCC(N(C)CC(=O)NC(C)C)CC2)c1C
InChIInChI=1S/C18H29N7O/c1-12(2)21-16(26)10-23(5)15-6-8-24(9-7-15)17-13(3)14(4)22-18-19-11-20-25(17)18/h11-12,15H,6-10H2,1-5H3,(H,21,26)
InChIKeyUWSOOKKHTOAMTR-UHFFFAOYSA-N
MW359.48 g/mol
LogP1.17
Rot. Bonds5

About 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide

2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 75395163) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
PubChem CID75395163
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide
SMILESCc1nc2ncnn2c(N2CCC(N(C)CC(=O)NC(C)C)CC2)c1C
InChIInChI=1S/C18H29N7O/c1-12(2)21-16(26)10-23(5)15-6-8-24(9-7-15)17-13(3)14(4)22-18-19-11-20-25(17)18/h11-12,15H,6-10H2,1-5H3,(H,21,26)
InChIKeyUWSOOKKHTOAMTR-UHFFFAOYSA-N
XLogP1.17
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 163347900
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133321302
5,6-dimethyl-7-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017019
N-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]-N-methylcyclopropanesulfonamide
CID 154582584
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863934
N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 172881921
2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 163344567
N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432562
7-[(3R,5S)-3,5-dimethylazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 138053520
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone
CID 171997323
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 36958018
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 4599447

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide (CID 75395163) is 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide is Cc1nc2ncnn2c(N2CCC(N(C)CC(=O)NC(C)C)CC2)c1C.
What is the InChIKey of 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is UWSOOKKHTOAMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-12(2)21-16(26)10-23(5)15-6-8-24(9-7-15)17-13(3)14(4)22-18-19-11-20-25(17)18/h11-12,15H,6-10H2,1-5H3,(H,21,26).
What are the key properties of 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide?
2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 359.48 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 75395163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).