5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole

C12H19N5O — CID 45171977

IUPAC5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)Cn2nc(C)nc2C)n1
InChIInChI=1S/C12H19N5O/c1-5-6-11-14-12(18-16-11)8(2)7-17-10(4)13-9(3)15-17/h8H,5-7H2,1-4H3
InChIKeyVZXWKQREOLIGGV-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.03
Rot. Bonds5

About 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole

5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole (PubChem CID 45171977) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole
PubChem CID45171977
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(C(C)Cn2nc(C)nc2C)n1
InChIInChI=1S/C12H19N5O/c1-5-6-11-14-12(18-16-11)8(2)7-17-10(4)13-9(3)15-17/h8H,5-7H2,1-4H3
InChIKeyVZXWKQREOLIGGV-UHFFFAOYSA-N
XLogP2.03
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole (CID 45171977) is 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(C(C)Cn2nc(C)nc2C)n1.
What is the InChIKey of 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is VZXWKQREOLIGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-6-11-14-12(18-16-11)8(2)7-17-10(4)13-9(3)15-17/h8H,5-7H2,1-4H3.
What are the key properties of 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole?
5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 249.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 45171977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).