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

C10H15N5O — CID 163926125

IUPAC5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCc1ncn(CC(C)(C)c2noc(C)n2)n1
InChIInChI=1S/C10H15N5O/c1-7-11-6-15(13-7)5-10(3,4)9-12-8(2)16-14-9/h6H,5H2,1-4H3
InChIKeyREPQIXQZUDFIOM-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.26
Rot. Bonds3

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

5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole (PubChem CID 163926125) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole
PubChem CID163926125
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCc1ncn(CC(C)(C)c2noc(C)n2)n1
InChIInChI=1S/C10H15N5O/c1-7-11-6-15(13-7)5-10(3,4)9-12-8(2)16-14-9/h6H,5H2,1-4H3
InChIKeyREPQIXQZUDFIOM-UHFFFAOYSA-N
XLogP1.26
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 72114166
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 136521393
N-methyl-3-(1H-1,2,4-triazol-1-yl)-N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl}propanamide
CID 86286128
5-Butyl-3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 56794280
5-tert-butyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944122
(5-Tert-butyl-3-methyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69381741
(3-Tert-butyl-5-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69382731
(3-Tert-butyl-5-methyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69385032
(5-Tert-butyl-3-nitro-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69385592
(5-Tert-butyl-3-ethyl-1,2,4-triazol-1-yl)-(1,2,4-triazol-1-yl)methanone
CID 69388164
5-Ethyl-3-(1-ethyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448622
5-Ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448721

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole (CID 163926125) is 5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole is Cc1ncn(CC(C)(C)c2noc(C)n2)n1.
What is the InChIKey of 5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole?
The InChIKey is REPQIXQZUDFIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7-11-6-15(13-7)5-10(3,4)9-12-8(2)16-14-9/h6H,5H2,1-4H3.
What are the key properties of 5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole?
5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole has a molecular weight of 221.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-methyl-1-(3-methyl-1,2,4-triazol-1-yl)propan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 163926125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).