4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

C8H12N6O — CID 62805914

IUPAC4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCC(C)c1nc(-c2nonc2N)n(C)n1
InChIInChI=1S/C8H12N6O/c1-4(2)7-10-8(14(3)11-7)5-6(9)13-15-12-5/h4H,1-3H3,(H2,9,13)
InChIKeyRATSYIQSQKREKB-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.57
Rot. Bonds2

About 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine

4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62805914) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62805914
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
SMILESCC(C)c1nc(-c2nonc2N)n(C)n1
InChIInChI=1S/C8H12N6O/c1-4(2)7-10-8(14(3)11-7)5-6(9)13-15-12-5/h4H,1-3H3,(H2,9,13)
InChIKeyRATSYIQSQKREKB-UHFFFAOYSA-N
XLogP0.57
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Furazan, 3-(dimethylaminomethylenamino)-4-(1,2,4-triazol-3-yl)-
CID 557765
4,4'-(1-propyl-1H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)
CID 1907917
4,4'-(1-ethyl-1H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)
CID 1922516
1,3,4-Triazole, 3-methyl-2,5-bis(4-azidofurazan-5-yl)-
CID 539927
4-(5-Methyl-1,2,4-triazol-3-yl)furazan-3-amine
CID 58778287
1,2,4-Triazole, 3,5-di(4-amino-3-furazanyl)-1-methyl-
CID 595628
4,4'-(1-butyl-1H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)
CID 1907101
ethyl {2-[5-(4-aminofurazan-3-yl)-1-methyl-1H-1,2,4-tri-azol-3-yl]}acetate
CID 135398196
4-(1-methyl-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 58778276
4-(3-ethyl-1-methyl-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62805912
4-(1-methyl-3-propyl-1H-1,2,4-triazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62805913
4-(5-Cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62806089

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine (CID 62805914) is 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is CC(C)c1nc(-c2nonc2N)n(C)n1.
What is the InChIKey of 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is RATSYIQSQKREKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-4(2)7-10-8(14(3)11-7)5-6(9)13-15-12-5/h4H,1-3H3,(H2,9,13).
What are the key properties of 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine?
4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 208.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62805914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).