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

C10H13N5O — CID 156547513

IUPAC5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole
SMILESCc1nc(CC2CC2c2noc(C)n2)n[nH]1
InChIInChI=1S/C10H13N5O/c1-5-11-9(14-13-5)4-7-3-8(7)10-12-6(2)16-15-10/h7-8H,3-4H2,1-2H3,(H,11,13,14)
InChIKeyIEZOWUYMZYAHEA-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.15
Rot. Bonds3

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

5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole (PubChem CID 156547513) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole
PubChem CID156547513
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole
SMILESCc1nc(CC2CC2c2noc(C)n2)n[nH]1
InChIInChI=1S/C10H13N5O/c1-5-11-9(14-13-5)4-7-3-8(7)10-12-6(2)16-15-10/h7-8H,3-4H2,1-2H3,(H,11,13,14)
InChIKeyIEZOWUYMZYAHEA-UHFFFAOYSA-N
XLogP1.15
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole (CID 156547513) is 5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole is Cc1nc(CC2CC2c2noc(C)n2)n[nH]1.
What is the InChIKey of 5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is IEZOWUYMZYAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-5-11-9(14-13-5)4-7-3-8(7)10-12-6(2)16-15-10/h7-8H,3-4H2,1-2H3,(H,11,13,14).
What are the key properties of 5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole?
5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 219.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 156547513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).