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

C10H12ClN5O — CID 106421234

IUPAC5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCn2c(Cl)nnc2C2CC2)n1
InChIInChI=1S/C10H12ClN5O/c1-6-12-8(17-15-6)4-5-16-9(7-2-3-7)13-14-10(16)11/h7H,2-5H2,1H3
InChIKeyCKOBAVRAAKQGBM-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.74
Rot. Bonds4

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

5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 106421234) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID106421234
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CCn2c(Cl)nnc2C2CC2)n1
InChIInChI=1S/C10H12ClN5O/c1-6-12-8(17-15-6)4-5-16-9(7-2-3-7)13-14-10(16)11/h7H,2-5H2,1H3
InChIKeyCKOBAVRAAKQGBM-UHFFFAOYSA-N
XLogP1.74
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-chloro-5-cyclopropyl-4-(2-phenylethyl)-1,2,4-triazole
CID 55184754
3-chloro-5-cyclopropyl-4-[2-(3-methylphenyl)ethyl]-1,2,4-triazole
CID 63385046
3-chloro-5-cyclopropyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 63385163
5-(2-cyclopropylethyl)-3-methyl-1,2,4-oxadiazole
CID 131086308
3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one
CID 106418226
4-[[4-methyl-5-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70777110
N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106421375
2-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
CID 106421032
5-[2-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420402
N-ethyl-3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 106418244
5-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420298

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole (CID 106421234) is 5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CCn2c(Cl)nnc2C2CC2)n1.
What is the InChIKey of 5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CKOBAVRAAKQGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-6-12-8(17-15-6)4-5-16-9(7-2-3-7)13-14-10(16)11/h7H,2-5H2,1H3.
What are the key properties of 5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole?
5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 253.69 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-5-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106421234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).