3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole

C15H23N7O — CID 129485017

IUPAC3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
SMILESCCn1ncnc1CN1CCN(C)[C@@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C15H23N7O/c1-3-22-13(16-10-17-22)9-21-7-6-20(2)12(8-21)15-18-14(19-23-15)11-4-5-11/h10-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyWBCCNEOHMBQQHS-GFCCVEGCSA-N
MW317.40 g/mol
LogP1.05
Rot. Bonds5

About 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole (PubChem CID 129485017) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
PubChem CID129485017
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
SMILESCCn1ncnc1CN1CCN(C)[C@@H](c2nc(C3CC3)no2)C1
InChIInChI=1S/C15H23N7O/c1-3-22-13(16-10-17-22)9-21-7-6-20(2)12(8-21)15-18-14(19-23-15)11-4-5-11/h10-12H,3-9H2,1-2H3/t12-/m1/s1
InChIKeyWBCCNEOHMBQQHS-GFCCVEGCSA-N
XLogP1.05
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-5-[(2R)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 129485091
3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129484503
3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 128980573
(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 99957532
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126811031
5-[(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129484536
5-[[(3S)-3-(cyclopentylmethyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 100699656
3-(bromomethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80679311
3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 129483309
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]methanone
CID 129483705
3-methyl-5-[(2R)-1-methyl-4-[(2-methylpyrazol-3-yl)methyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129486090
2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 129482332

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole (CID 129485017) is 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole is CCn1ncnc1CN1CCN(C)[C@@H](c2nc(C3CC3)no2)C1.
What is the InChIKey of 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole?
The InChIKey is WBCCNEOHMBQQHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N7O/c1-3-22-13(16-10-17-22)9-21-7-6-20(2)12(8-21)15-18-14(19-23-15)11-4-5-11/h10-12H,3-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole has a molecular weight of 317.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 129485017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).