2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole

C17H21N7O — CID 163344567

IUPAC2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCc1nc2ncnn2c(N2CCC(c3nnc(C4CC4)o3)CC2)c1C
InChIInChI=1S/C17H21N7O/c1-10-11(2)20-17-18-9-19-24(17)16(10)23-7-5-13(6-8-23)15-22-21-14(25-15)12-3-4-12/h9,12-13H,3-8H2,1-2H3
InChIKeyLEHJBRGSLGIASV-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.39
Rot. Bonds3

About 2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole

2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 163344567) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID163344567
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCc1nc2ncnn2c(N2CCC(c3nnc(C4CC4)o3)CC2)c1C
InChIInChI=1S/C17H21N7O/c1-10-11(2)20-17-18-9-19-24(17)16(10)23-7-5-13(6-8-23)15-22-21-14(25-15)12-3-4-12/h9,12-13H,3-8H2,1-2H3
InChIKeyLEHJBRGSLGIASV-UHFFFAOYSA-N
XLogP2.39
TPSA85.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(1-{5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidin-4-yl)-4-(fluoromethyl)pyrrolidin-2-one
CID 126899753
N-[(1-{5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-fluoropiperidin-4-yl)methyl]cyclopropanecarboxamide
CID 165432562
[1-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286414
1-cyclopentyl-4-{[(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)(methyl)amino]methyl}-2-pyrrolidinone
CID 70720405
1-tert-butyl-4-{[(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)(methyl)amino]methyl}-2-pyrrolidinone
CID 70724147
2-(1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 70778346
3-[1-(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72122430
3-[1-(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-ethyl-1,2,4-oxadiazole
CID 72122438
3-[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-ethyl-1,2,4-oxadiazole
CID 95780402
3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-ethyl-1,2,4-oxadiazole
CID 95780403
3-[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 95780420
3-[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 95780421

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 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) is 2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole is Cc1nc2ncnn2c(N2CCC(c3nnc(C4CC4)o3)CC2)c1C.
What is the InChIKey of 2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is LEHJBRGSLGIASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-10-11(2)20-17-18-9-19-24(17)16(10)23-7-5-13(6-8-23)15-22-21-14(25-15)12-3-4-12/h9,12-13H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 339.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 163344567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).