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

C13H18N6O — CID 124750128

IUPAC2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nc([C@H]2CCCN2Cc2nnc(C3CC3)o2)n[nH]1
InChIInChI=1S/C13H18N6O/c1-8-14-12(17-15-8)10-3-2-6-19(10)7-11-16-18-13(20-11)9-4-5-9/h9-10H,2-7H2,1H3,(H,14,15,17)/t10-/m1/s1
InChIKeyCEOKHABCXPWBNQ-SNVBAGLBSA-N
MW274.33 g/mol
LogP1.71
Rot. Bonds4

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

2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 124750128) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID124750128
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1nc([C@H]2CCCN2Cc2nnc(C3CC3)o2)n[nH]1
InChIInChI=1S/C13H18N6O/c1-8-14-12(17-15-8)10-3-2-6-19(10)7-11-16-18-13(20-11)9-4-5-9/h9-10H,2-7H2,1H3,(H,14,15,17)/t10-/m1/s1
InChIKeyCEOKHABCXPWBNQ-SNVBAGLBSA-N
XLogP1.71
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[1-[(5-chlorofuran-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 77098303
3-[1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74232912
3-[1-[[5-(2-chlorophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-5-methyl-1H-1,2,4-triazole
CID 74245671
2-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137048520
5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-3-phenyl-1,2-oxazole
CID 99929165
4-chloro-5-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 77082520
(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidine
CID 129492253
2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyrimidin-4-amine
CID 129492248
2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-N-propylacetamide
CID 146143039
3,5-dichloro-2-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 129492265
8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
CID 74246375
2-(5-methyl-1H-1,2,4-triazol-3-yl)-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 128969620

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole (CID 124750128) is 2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is Cc1nc([C@H]2CCCN2Cc2nnc(C3CC3)o2)n[nH]1.
What is the InChIKey of 2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is CEOKHABCXPWBNQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8-14-12(17-15-8)10-3-2-6-19(10)7-11-16-18-13(20-11)9-4-5-9/h9-10H,2-7H2,1H3,(H,14,15,17)/t10-/m1/s1.
What are the key properties of 2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 274.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 124750128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).